USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 680 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 GLN : amide:sc= -0.141 K(o=-0.51,f=-2.6) USER MOD Set 1.2: A 87 CYS SG : rot 130:sc= -0.371 USER MOD Set 2.1: A 63 LYS NZ :NH3+ -176:sc= 0.0878 (180deg=-0.0976) USER MOD Set 2.2: A 70 SER OG : rot 21:sc= 1.33 USER MOD Set 3.1: A 39 ASN : amide:sc= -0.602 K(o=0.034,f=-7.5!) USER MOD Set 3.2: A 40 SER OG : rot 18:sc= 0.636 USER MOD Set 4.1: A 10 THR OG1 : rot 180:sc= -2.59! USER MOD Set 4.2: A 19 SER OG : rot 180:sc= -0.222 USER MOD Single : A 7 MET CE :methyl 161:sc= -0.123 (180deg=-0.524) USER MOD Single : A 9 GLN : amide:sc= -0.329 X(o=-0.33,f=-0.81) USER MOD Single : A 13 MET CE :methyl -166:sc= -0.0297 (180deg=-0.307) USER MOD Single : A 15 THR OG1 : rot 136:sc= -0.619 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.394 X(o=-0.39,f=0.083) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 63:sc= 0.219 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= -2.15! C(o=-2.2!,f=-1.3!) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 49 GLN : amide:sc= -2.76! K(o=-2.8!,f=0) USER MOD Single : A 55 THR OG1 : rot -72:sc= -0.759 USER MOD Single : A 62 GLN : amide:sc= -3.98! C(o=-4!,f=-8.4!) USER MOD Single : A 67 LYS NZ :NH3+ -136:sc= 2.24 (180deg=-0.206) USER MOD Single : A 69 LYS NZ :NH3+ 175:sc= -2.49! (180deg=-2.86!) USER MOD Single : A 76 THR OG1 : rot -100:sc= -4.18! USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 ASN : amide:sc= -4.43! C(o=-4.4!,f=-3.2!) USER MOD Single : A 90 MET CE :methyl -175:sc= -0.0184 (180deg=-0.0844) USER MOD Single : A 95 LYS NZ :NH3+ -178:sc= 1.92 (180deg=1.89) USER MOD ----------------------------------------------------------------- ATOM 96 N MET A 7 11.544 6.225 -2.457 1.00 0.32 N ATOM 97 CA MET A 7 11.973 5.093 -1.636 1.00 0.29 C ATOM 98 C MET A 7 12.648 5.563 -0.353 1.00 0.34 C ATOM 99 O MET A 7 13.567 4.915 0.132 1.00 0.70 O ATOM 100 CB MET A 7 12.891 4.142 -2.406 1.00 0.35 C ATOM 101 CG MET A 7 12.274 2.776 -2.645 1.00 0.30 C ATOM 102 SD MET A 7 13.346 1.673 -3.588 1.00 0.45 S ATOM 103 CE MET A 7 14.746 1.528 -2.474 1.00 1.60 C ATOM 0 HA MET A 7 11.073 4.540 -1.368 1.00 0.29 H new ATOM 0 HB2 MET A 7 13.145 4.591 -3.366 1.00 0.35 H new ATOM 0 HB3 MET A 7 13.823 4.021 -1.854 1.00 0.35 H new ATOM 0 HG2 MET A 7 12.042 2.315 -1.685 1.00 0.30 H new ATOM 0 HG3 MET A 7 11.330 2.898 -3.176 1.00 0.30 H new ATOM 0 HE1 MET A 7 15.329 0.644 -2.735 1.00 1.60 H new ATOM 0 HE2 MET A 7 15.373 2.415 -2.561 1.00 1.60 H new ATOM 0 HE3 MET A 7 14.387 1.436 -1.449 1.00 1.60 H new ATOM 113 N VAL A 8 12.183 6.698 0.181 1.00 0.31 N ATOM 114 CA VAL A 8 12.650 7.207 1.479 1.00 0.30 C ATOM 115 C VAL A 8 11.657 8.206 2.084 1.00 0.31 C ATOM 116 O VAL A 8 11.958 9.396 2.196 1.00 0.46 O ATOM 117 CB VAL A 8 14.040 7.898 1.391 1.00 0.39 C ATOM 118 CG1 VAL A 8 15.170 6.903 1.600 1.00 1.50 C ATOM 119 CG2 VAL A 8 14.208 8.622 0.059 1.00 1.12 C ATOM 0 H VAL A 8 11.480 7.285 -0.267 1.00 0.31 H new ATOM 0 HA VAL A 8 12.734 6.328 2.118 1.00 0.30 H new ATOM 0 HB VAL A 8 14.088 8.635 2.193 1.00 0.39 H new ATOM 0 HG11 VAL A 8 16.127 7.420 1.532 1.00 1.50 H new ATOM 0 HG12 VAL A 8 15.074 6.445 2.584 1.00 1.50 H new ATOM 0 HG13 VAL A 8 15.120 6.130 0.834 1.00 1.50 H new ATOM 0 HG21 VAL A 8 15.189 9.096 0.024 1.00 1.12 H new ATOM 0 HG22 VAL A 8 14.122 7.906 -0.758 1.00 1.12 H new ATOM 0 HG23 VAL A 8 13.433 9.382 -0.042 1.00 1.12 H new ATOM 129 N GLN A 9 10.481 7.732 2.497 1.00 0.23 N ATOM 130 CA GLN A 9 9.520 8.609 3.164 1.00 0.24 C ATOM 131 C GLN A 9 9.231 8.173 4.608 1.00 0.26 C ATOM 132 O GLN A 9 9.556 8.899 5.544 1.00 0.38 O ATOM 133 CB GLN A 9 8.240 8.737 2.339 1.00 0.26 C ATOM 134 CG GLN A 9 8.403 9.685 1.160 1.00 0.31 C ATOM 135 CD GLN A 9 8.707 11.109 1.592 1.00 1.15 C ATOM 136 OE1 GLN A 9 8.232 11.573 2.633 1.00 1.97 O ATOM 137 NE2 GLN A 9 9.519 11.805 0.815 1.00 1.86 N ATOM 0 H GLN A 9 10.175 6.765 2.385 1.00 0.23 H new ATOM 0 HA GLN A 9 9.975 9.597 3.233 1.00 0.24 H new ATOM 0 HB2 GLN A 9 7.947 7.753 1.973 1.00 0.26 H new ATOM 0 HB3 GLN A 9 7.432 9.093 2.979 1.00 0.26 H new ATOM 0 HG2 GLN A 9 9.207 9.325 0.518 1.00 0.31 H new ATOM 0 HG3 GLN A 9 7.491 9.677 0.564 1.00 0.31 H new ATOM 0 HE21 GLN A 9 9.892 11.387 -0.038 1.00 1.86 H new ATOM 0 HE22 GLN A 9 9.773 12.760 1.068 1.00 1.86 H new ATOM 146 N THR A 10 8.651 6.993 4.805 1.00 0.21 N ATOM 147 CA THR A 10 8.350 6.523 6.160 1.00 0.21 C ATOM 148 C THR A 10 9.160 5.275 6.505 1.00 0.21 C ATOM 149 O THR A 10 8.891 4.187 5.996 1.00 0.21 O ATOM 150 CB THR A 10 6.849 6.218 6.324 1.00 0.23 C ATOM 151 OG1 THR A 10 6.079 7.333 5.857 1.00 0.26 O ATOM 152 CG2 THR A 10 6.504 5.946 7.781 1.00 0.28 C ATOM 0 H THR A 10 8.382 6.351 4.059 1.00 0.21 H new ATOM 0 HA THR A 10 8.626 7.325 6.844 1.00 0.21 H new ATOM 0 HB THR A 10 6.614 5.329 5.738 1.00 0.23 H new ATOM 0 HG1 THR A 10 5.124 7.137 5.960 1.00 0.26 H new ATOM 0 HG21 THR A 10 5.439 5.734 7.869 1.00 0.28 H new ATOM 0 HG22 THR A 10 7.076 5.089 8.136 1.00 0.28 H new ATOM 0 HG23 THR A 10 6.750 6.821 8.383 1.00 0.28 H new ATOM 160 N GLU A 11 10.168 5.447 7.348 1.00 0.25 N ATOM 161 CA GLU A 11 11.053 4.351 7.726 1.00 0.28 C ATOM 162 C GLU A 11 10.518 3.578 8.933 1.00 0.25 C ATOM 163 O GLU A 11 9.807 4.129 9.772 1.00 0.40 O ATOM 164 CB GLU A 11 12.444 4.898 8.038 1.00 0.45 C ATOM 165 CG GLU A 11 13.536 3.844 8.040 1.00 0.47 C ATOM 166 CD GLU A 11 14.899 4.443 8.288 1.00 0.70 C ATOM 167 OE1 GLU A 11 15.475 5.030 7.352 1.00 1.50 O ATOM 168 OE2 GLU A 11 15.408 4.319 9.420 1.00 1.15 O ATOM 0 H GLU A 11 10.395 6.340 7.786 1.00 0.25 H new ATOM 0 HA GLU A 11 11.105 3.659 6.885 1.00 0.28 H new ATOM 0 HB2 GLU A 11 12.695 5.665 7.305 1.00 0.45 H new ATOM 0 HB3 GLU A 11 12.421 5.385 9.013 1.00 0.45 H new ATOM 0 HG2 GLU A 11 13.321 3.101 8.808 1.00 0.47 H new ATOM 0 HG3 GLU A 11 13.538 3.322 7.083 1.00 0.47 H new ATOM 175 N GLU A 12 10.871 2.298 8.992 1.00 0.31 N ATOM 176 CA GLU A 12 10.504 1.419 10.096 1.00 0.31 C ATOM 177 C GLU A 12 11.592 0.345 10.248 1.00 0.33 C ATOM 178 O GLU A 12 12.736 0.583 9.863 1.00 0.50 O ATOM 179 CB GLU A 12 9.140 0.778 9.835 1.00 0.38 C ATOM 180 CG GLU A 12 8.446 0.294 11.097 1.00 0.56 C ATOM 181 CD GLU A 12 7.846 -1.082 10.933 1.00 0.89 C ATOM 182 OE1 GLU A 12 8.623 -2.061 10.883 1.00 1.37 O ATOM 183 OE2 GLU A 12 6.606 -1.192 10.848 1.00 1.56 O ATOM 0 H GLU A 12 11.424 1.838 8.269 1.00 0.31 H new ATOM 0 HA GLU A 12 10.428 1.993 11.019 1.00 0.31 H new ATOM 0 HB2 GLU A 12 8.498 1.501 9.331 1.00 0.38 H new ATOM 0 HB3 GLU A 12 9.267 -0.064 9.154 1.00 0.38 H new ATOM 0 HG2 GLU A 12 9.162 0.280 11.919 1.00 0.56 H new ATOM 0 HG3 GLU A 12 7.661 0.999 11.370 1.00 0.56 H new ATOM 190 N MET A 13 11.253 -0.829 10.780 1.00 0.38 N ATOM 191 CA MET A 13 12.268 -1.836 11.086 1.00 0.46 C ATOM 192 C MET A 13 12.800 -2.545 9.836 1.00 0.40 C ATOM 193 O MET A 13 14.002 -2.766 9.724 1.00 0.49 O ATOM 194 CB MET A 13 11.736 -2.855 12.086 1.00 0.61 C ATOM 195 CG MET A 13 11.458 -2.264 13.457 1.00 0.92 C ATOM 196 SD MET A 13 10.916 -3.497 14.656 1.00 1.76 S ATOM 197 CE MET A 13 9.320 -3.949 13.981 1.00 2.64 C ATOM 0 H MET A 13 10.297 -1.104 11.005 1.00 0.38 H new ATOM 0 HA MET A 13 13.108 -1.302 11.531 1.00 0.46 H new ATOM 0 HB2 MET A 13 10.818 -3.293 11.694 1.00 0.61 H new ATOM 0 HB3 MET A 13 12.458 -3.665 12.187 1.00 0.61 H new ATOM 0 HG2 MET A 13 12.360 -1.777 13.827 1.00 0.92 H new ATOM 0 HG3 MET A 13 10.694 -1.492 13.366 1.00 0.92 H new ATOM 0 HE1 MET A 13 8.755 -4.508 14.727 1.00 2.64 H new ATOM 0 HE2 MET A 13 8.771 -3.047 13.710 1.00 2.64 H new ATOM 0 HE3 MET A 13 9.462 -4.568 13.095 1.00 2.64 H new ATOM 207 N GLU A 14 11.932 -2.897 8.889 1.00 0.30 N ATOM 208 CA GLU A 14 12.418 -3.473 7.636 1.00 0.28 C ATOM 209 C GLU A 14 12.316 -2.486 6.486 1.00 0.31 C ATOM 210 O GLU A 14 13.084 -2.562 5.535 1.00 0.61 O ATOM 211 CB GLU A 14 11.595 -4.707 7.262 1.00 0.33 C ATOM 212 CG GLU A 14 11.715 -5.094 5.790 1.00 0.45 C ATOM 213 CD GLU A 14 12.821 -6.082 5.515 1.00 0.86 C ATOM 214 OE1 GLU A 14 13.969 -5.831 5.924 1.00 1.19 O ATOM 215 OE2 GLU A 14 12.536 -7.114 4.881 1.00 1.33 O ATOM 0 H GLU A 14 10.919 -2.798 8.959 1.00 0.30 H new ATOM 0 HA GLU A 14 13.463 -3.737 7.797 1.00 0.28 H new ATOM 0 HB2 GLU A 14 11.914 -5.548 7.878 1.00 0.33 H new ATOM 0 HB3 GLU A 14 10.547 -4.520 7.496 1.00 0.33 H new ATOM 0 HG2 GLU A 14 10.768 -5.519 5.456 1.00 0.45 H new ATOM 0 HG3 GLU A 14 11.887 -4.194 5.199 1.00 0.45 H new ATOM 222 N THR A 15 11.428 -1.516 6.605 1.00 0.20 N ATOM 223 CA THR A 15 11.093 -0.688 5.462 1.00 0.18 C ATOM 224 C THR A 15 12.259 0.199 5.103 1.00 0.21 C ATOM 225 O THR A 15 12.972 0.691 5.983 1.00 0.30 O ATOM 226 CB THR A 15 9.836 0.167 5.720 1.00 0.23 C ATOM 227 OG1 THR A 15 10.102 1.145 6.720 1.00 1.04 O ATOM 228 CG2 THR A 15 8.680 -0.710 6.167 1.00 0.90 C ATOM 0 H THR A 15 10.933 -1.285 7.466 1.00 0.20 H new ATOM 0 HA THR A 15 10.873 -1.353 4.627 1.00 0.18 H new ATOM 0 HB THR A 15 9.566 0.666 4.790 1.00 0.23 H new ATOM 0 HG1 THR A 15 9.724 2.006 6.444 1.00 1.04 H new ATOM 0 HG21 THR A 15 7.801 -0.091 6.345 1.00 0.90 H new ATOM 0 HG22 THR A 15 8.457 -1.442 5.391 1.00 0.90 H new ATOM 0 HG23 THR A 15 8.951 -1.228 7.087 1.00 0.90 H new ATOM 236 N PRO A 16 12.476 0.431 3.808 1.00 0.21 N ATOM 237 CA PRO A 16 13.572 1.245 3.352 1.00 0.24 C ATOM 238 C PRO A 16 13.125 2.687 3.331 1.00 0.21 C ATOM 239 O PRO A 16 13.452 3.454 2.432 1.00 0.22 O ATOM 240 CB PRO A 16 13.852 0.689 1.961 1.00 0.28 C ATOM 241 CG PRO A 16 12.553 0.135 1.479 1.00 0.26 C ATOM 242 CD PRO A 16 11.640 -0.017 2.677 1.00 0.19 C ATOM 0 HA PRO A 16 14.466 1.220 3.976 1.00 0.24 H new ATOM 0 HB2 PRO A 16 14.217 1.470 1.293 1.00 0.28 H new ATOM 0 HB3 PRO A 16 14.619 -0.085 1.996 1.00 0.28 H new ATOM 0 HG2 PRO A 16 12.105 0.799 0.740 1.00 0.26 H new ATOM 0 HG3 PRO A 16 12.706 -0.828 0.991 1.00 0.26 H new ATOM 0 HD2 PRO A 16 10.742 0.592 2.576 1.00 0.19 H new ATOM 0 HD3 PRO A 16 11.313 -1.049 2.804 1.00 0.19 H new ATOM 250 N ARG A 17 12.351 3.017 4.365 1.00 0.21 N ATOM 251 CA ARG A 17 11.674 4.288 4.477 1.00 0.21 C ATOM 252 C ARG A 17 10.656 4.407 3.343 1.00 0.19 C ATOM 253 O ARG A 17 10.801 5.210 2.437 1.00 0.28 O ATOM 254 CB ARG A 17 12.697 5.432 4.464 1.00 0.26 C ATOM 255 CG ARG A 17 12.190 6.725 5.067 1.00 0.39 C ATOM 256 CD ARG A 17 13.301 7.751 5.190 1.00 0.37 C ATOM 257 NE ARG A 17 14.339 7.329 6.124 1.00 1.13 N ATOM 258 CZ ARG A 17 15.137 8.166 6.778 1.00 1.48 C ATOM 259 NH1 ARG A 17 15.065 9.475 6.559 1.00 1.46 N ATOM 260 NH2 ARG A 17 16.021 7.682 7.637 1.00 2.42 N ATOM 0 H ARG A 17 12.181 2.393 5.154 1.00 0.21 H new ATOM 0 HA ARG A 17 11.137 4.353 5.424 1.00 0.21 H new ATOM 0 HB2 ARG A 17 13.587 5.115 5.008 1.00 0.26 H new ATOM 0 HB3 ARG A 17 13.003 5.619 3.435 1.00 0.26 H new ATOM 0 HG2 ARG A 17 11.388 7.127 4.448 1.00 0.39 H new ATOM 0 HG3 ARG A 17 11.765 6.527 6.051 1.00 0.39 H new ATOM 0 HD2 ARG A 17 13.745 7.923 4.209 1.00 0.37 H new ATOM 0 HD3 ARG A 17 12.881 8.701 5.521 1.00 0.37 H new ATOM 0 HE ARG A 17 14.460 6.329 6.285 1.00 1.13 H new ATOM 0 HH11 ARG A 17 14.394 9.843 5.885 1.00 1.46 H new ATOM 0 HH12 ARG A 17 15.681 10.111 7.065 1.00 1.46 H new ATOM 0 HH21 ARG A 17 16.084 6.676 7.791 1.00 2.42 H new ATOM 0 HH22 ARG A 17 16.639 8.316 8.145 1.00 2.42 H new ATOM 274 N LEU A 18 9.626 3.571 3.374 1.00 0.16 N ATOM 275 CA LEU A 18 8.658 3.544 2.287 1.00 0.14 C ATOM 276 C LEU A 18 7.245 3.921 2.726 1.00 0.13 C ATOM 277 O LEU A 18 6.629 3.241 3.551 1.00 0.15 O ATOM 278 CB LEU A 18 8.631 2.169 1.654 1.00 0.19 C ATOM 279 CG LEU A 18 9.420 2.021 0.351 1.00 0.23 C ATOM 280 CD1 LEU A 18 10.815 2.596 0.481 1.00 0.25 C ATOM 281 CD2 LEU A 18 9.471 0.563 -0.073 1.00 0.27 C ATOM 0 H LEU A 18 9.441 2.911 4.130 1.00 0.16 H new ATOM 0 HA LEU A 18 8.983 4.295 1.567 1.00 0.14 H new ATOM 0 HB2 LEU A 18 9.019 1.450 2.375 1.00 0.19 H new ATOM 0 HB3 LEU A 18 7.593 1.899 1.461 1.00 0.19 H new ATOM 0 HG LEU A 18 8.904 2.589 -0.423 1.00 0.23 H new ATOM 0 HD11 LEU A 18 11.348 2.474 -0.462 1.00 0.25 H new ATOM 0 HD12 LEU A 18 10.750 3.656 0.727 1.00 0.25 H new ATOM 0 HD13 LEU A 18 11.352 2.072 1.272 1.00 0.25 H new ATOM 0 HD21 LEU A 18 10.035 0.474 -1.001 1.00 0.27 H new ATOM 0 HD22 LEU A 18 9.957 -0.025 0.705 1.00 0.27 H new ATOM 0 HD23 LEU A 18 8.457 0.193 -0.228 1.00 0.27 H new ATOM 293 N SER A 19 6.733 4.988 2.122 1.00 0.16 N ATOM 294 CA SER A 19 5.395 5.486 2.395 1.00 0.16 C ATOM 295 C SER A 19 4.550 5.498 1.122 1.00 0.14 C ATOM 296 O SER A 19 4.946 6.058 0.104 1.00 0.18 O ATOM 297 CB SER A 19 5.499 6.888 2.965 1.00 0.23 C ATOM 298 OG SER A 19 4.226 7.488 3.143 1.00 0.67 O ATOM 0 H SER A 19 7.240 5.533 1.425 1.00 0.16 H new ATOM 0 HA SER A 19 4.908 4.828 3.115 1.00 0.16 H new ATOM 0 HB2 SER A 19 6.019 6.852 3.922 1.00 0.23 H new ATOM 0 HB3 SER A 19 6.100 7.506 2.298 1.00 0.23 H new ATOM 0 HG SER A 19 4.338 8.388 3.513 1.00 0.67 H new ATOM 304 N VAL A 20 3.381 4.899 1.214 1.00 0.14 N ATOM 305 CA VAL A 20 2.484 4.711 0.084 1.00 0.14 C ATOM 306 C VAL A 20 1.323 5.700 0.137 1.00 0.13 C ATOM 307 O VAL A 20 0.959 6.205 1.203 1.00 0.14 O ATOM 308 CB VAL A 20 1.907 3.277 0.077 1.00 0.19 C ATOM 309 CG1 VAL A 20 1.017 3.073 1.270 1.00 0.89 C ATOM 310 CG2 VAL A 20 1.127 2.980 -1.187 1.00 0.85 C ATOM 0 H VAL A 20 3.018 4.521 2.089 1.00 0.14 H new ATOM 0 HA VAL A 20 3.065 4.880 -0.822 1.00 0.14 H new ATOM 0 HB VAL A 20 2.753 2.591 0.118 1.00 0.19 H new ATOM 0 HG11 VAL A 20 0.616 2.060 1.256 1.00 0.89 H new ATOM 0 HG12 VAL A 20 1.593 3.222 2.183 1.00 0.89 H new ATOM 0 HG13 VAL A 20 0.196 3.789 1.238 1.00 0.89 H new ATOM 0 HG21 VAL A 20 0.741 1.961 -1.146 1.00 0.85 H new ATOM 0 HG22 VAL A 20 0.296 3.679 -1.274 1.00 0.85 H new ATOM 0 HG23 VAL A 20 1.782 3.085 -2.052 1.00 0.85 H new ATOM 320 N ILE A 21 0.755 5.966 -1.024 1.00 0.16 N ATOM 321 CA ILE A 21 -0.422 6.809 -1.134 1.00 0.18 C ATOM 322 C ILE A 21 -1.649 5.924 -1.144 1.00 0.16 C ATOM 323 O ILE A 21 -1.846 5.146 -2.075 1.00 0.20 O ATOM 324 CB ILE A 21 -0.388 7.604 -2.449 1.00 0.28 C ATOM 325 CG1 ILE A 21 1.062 7.890 -2.844 1.00 0.23 C ATOM 326 CG2 ILE A 21 -1.181 8.895 -2.310 1.00 0.50 C ATOM 327 CD1 ILE A 21 1.207 8.511 -4.216 1.00 0.73 C ATOM 0 H ILE A 21 1.095 5.605 -1.916 1.00 0.16 H new ATOM 0 HA ILE A 21 -0.445 7.502 -0.293 1.00 0.18 H new ATOM 0 HB ILE A 21 -0.851 7.011 -3.237 1.00 0.28 H new ATOM 0 HG12 ILE A 21 1.506 8.556 -2.104 1.00 0.23 H new ATOM 0 HG13 ILE A 21 1.628 6.959 -2.815 1.00 0.23 H new ATOM 0 HG21 ILE A 21 -1.147 9.446 -3.250 1.00 0.50 H new ATOM 0 HG22 ILE A 21 -2.217 8.661 -2.064 1.00 0.50 H new ATOM 0 HG23 ILE A 21 -0.748 9.504 -1.516 1.00 0.50 H new ATOM 0 HD11 ILE A 21 2.262 8.685 -4.427 1.00 0.73 H new ATOM 0 HD12 ILE A 21 0.793 7.837 -4.966 1.00 0.73 H new ATOM 0 HD13 ILE A 21 0.670 9.459 -4.245 1.00 0.73 H new ATOM 339 N VAL A 22 -2.466 6.040 -0.107 1.00 0.14 N ATOM 340 CA VAL A 22 -3.695 5.274 -0.034 1.00 0.13 C ATOM 341 C VAL A 22 -4.864 6.181 -0.269 1.00 0.13 C ATOM 342 O VAL A 22 -5.198 7.003 0.580 1.00 0.20 O ATOM 343 CB VAL A 22 -3.896 4.601 1.326 1.00 0.15 C ATOM 344 CG1 VAL A 22 -5.137 3.733 1.288 1.00 0.16 C ATOM 345 CG2 VAL A 22 -2.674 3.797 1.713 1.00 0.20 C ATOM 0 H VAL A 22 -2.299 6.654 0.690 1.00 0.14 H new ATOM 0 HA VAL A 22 -3.623 4.498 -0.796 1.00 0.13 H new ATOM 0 HB VAL A 22 -4.034 5.369 2.087 1.00 0.15 H new ATOM 0 HG11 VAL A 22 -5.277 3.256 2.258 1.00 0.16 H new ATOM 0 HG12 VAL A 22 -6.006 4.350 1.059 1.00 0.16 H new ATOM 0 HG13 VAL A 22 -5.023 2.968 0.520 1.00 0.16 H new ATOM 0 HG21 VAL A 22 -2.839 3.328 2.683 1.00 0.20 H new ATOM 0 HG22 VAL A 22 -2.493 3.027 0.963 1.00 0.20 H new ATOM 0 HG23 VAL A 22 -1.808 4.457 1.772 1.00 0.20 H new ATOM 355 N THR A 23 -5.526 5.980 -1.374 1.00 0.15 N ATOM 356 CA THR A 23 -6.506 6.925 -1.823 1.00 0.18 C ATOM 357 C THR A 23 -7.881 6.286 -2.036 1.00 0.15 C ATOM 358 O THR A 23 -8.005 5.133 -2.438 1.00 0.16 O ATOM 359 CB THR A 23 -5.985 7.622 -3.102 1.00 0.33 C ATOM 360 OG1 THR A 23 -4.980 8.576 -2.743 1.00 1.21 O ATOM 361 CG2 THR A 23 -7.097 8.311 -3.883 1.00 0.87 C ATOM 0 H THR A 23 -5.404 5.169 -1.980 1.00 0.15 H new ATOM 0 HA THR A 23 -6.652 7.673 -1.043 1.00 0.18 H new ATOM 0 HB THR A 23 -5.566 6.854 -3.752 1.00 0.33 H new ATOM 0 HG1 THR A 23 -4.646 9.019 -3.551 1.00 1.21 H new ATOM 0 HG21 THR A 23 -6.678 8.785 -4.771 1.00 0.87 H new ATOM 0 HG22 THR A 23 -7.842 7.574 -4.182 1.00 0.87 H new ATOM 0 HG23 THR A 23 -7.567 9.068 -3.256 1.00 0.87 H new ATOM 369 N HIS A 24 -8.893 7.040 -1.660 1.00 0.20 N ATOM 370 CA HIS A 24 -10.281 6.738 -1.957 1.00 0.24 C ATOM 371 C HIS A 24 -10.902 8.038 -2.437 1.00 0.34 C ATOM 372 O HIS A 24 -11.046 8.967 -1.644 1.00 0.38 O ATOM 373 CB HIS A 24 -10.983 6.222 -0.688 1.00 0.31 C ATOM 374 CG HIS A 24 -12.469 6.446 -0.637 1.00 0.47 C ATOM 375 ND1 HIS A 24 -13.353 5.925 -1.559 1.00 1.20 N ATOM 376 CD2 HIS A 24 -13.224 7.144 0.247 1.00 1.13 C ATOM 377 CE1 HIS A 24 -14.582 6.293 -1.241 1.00 1.08 C ATOM 378 NE2 HIS A 24 -14.527 7.031 -0.153 1.00 0.96 N ATOM 0 H HIS A 24 -8.772 7.901 -1.126 1.00 0.20 H new ATOM 0 HA HIS A 24 -10.378 5.962 -2.716 1.00 0.24 H new ATOM 0 HB2 HIS A 24 -10.790 5.153 -0.596 1.00 0.31 H new ATOM 0 HB3 HIS A 24 -10.530 6.703 0.179 1.00 0.31 H new ATOM 0 HD2 HIS A 24 -12.863 7.688 1.107 1.00 1.13 H new ATOM 0 HE1 HIS A 24 -15.479 6.032 -1.782 1.00 1.08 H new ATOM 0 HE2 HIS A 24 -15.328 7.452 0.317 1.00 0.96 H new ATOM 387 N SER A 25 -11.230 8.112 -3.724 1.00 0.41 N ATOM 388 CA SER A 25 -11.696 9.359 -4.349 1.00 0.55 C ATOM 389 C SER A 25 -10.571 10.406 -4.440 1.00 0.60 C ATOM 390 O SER A 25 -10.273 10.936 -5.513 1.00 0.99 O ATOM 391 CB SER A 25 -12.890 9.918 -3.569 1.00 0.63 C ATOM 392 OG SER A 25 -14.053 9.146 -3.808 1.00 1.17 O ATOM 0 H SER A 25 -11.183 7.319 -4.364 1.00 0.41 H new ATOM 0 HA SER A 25 -12.008 9.130 -5.368 1.00 0.55 H new ATOM 0 HB2 SER A 25 -12.664 9.922 -2.503 1.00 0.63 H new ATOM 0 HB3 SER A 25 -13.069 10.953 -3.861 1.00 0.63 H new ATOM 0 HG SER A 25 -14.803 9.519 -3.299 1.00 1.17 H new ATOM 398 N ASN A 26 -9.945 10.661 -3.305 1.00 0.44 N ATOM 399 CA ASN A 26 -8.896 11.663 -3.154 1.00 0.50 C ATOM 400 C ASN A 26 -8.383 11.563 -1.733 1.00 0.43 C ATOM 401 O ASN A 26 -7.207 11.784 -1.450 1.00 0.47 O ATOM 402 CB ASN A 26 -9.435 13.073 -3.417 1.00 0.65 C ATOM 403 CG ASN A 26 -8.368 14.141 -3.270 1.00 1.42 C ATOM 404 OD1 ASN A 26 -7.190 13.896 -3.523 1.00 2.19 O ATOM 405 ND2 ASN A 26 -8.772 15.337 -2.868 1.00 2.02 N ATOM 0 H ASN A 26 -10.155 10.166 -2.438 1.00 0.44 H new ATOM 0 HA ASN A 26 -8.100 11.481 -3.876 1.00 0.50 H new ATOM 0 HB2 ASN A 26 -9.852 13.117 -4.423 1.00 0.65 H new ATOM 0 HB3 ASN A 26 -10.251 13.281 -2.725 1.00 0.65 H new ATOM 0 HD21 ASN A 26 -8.096 16.093 -2.759 1.00 2.02 H new ATOM 0 HD22 ASN A 26 -9.759 15.501 -2.668 1.00 2.02 H new ATOM 412 N GLU A 27 -9.316 11.208 -0.858 1.00 0.41 N ATOM 413 CA GLU A 27 -9.057 10.927 0.544 1.00 0.42 C ATOM 414 C GLU A 27 -7.880 9.973 0.707 1.00 0.37 C ATOM 415 O GLU A 27 -8.004 8.768 0.457 1.00 0.49 O ATOM 416 CB GLU A 27 -10.312 10.301 1.126 1.00 0.50 C ATOM 417 CG GLU A 27 -10.231 9.985 2.606 1.00 0.58 C ATOM 418 CD GLU A 27 -11.520 9.388 3.119 1.00 1.21 C ATOM 419 OE1 GLU A 27 -11.737 8.179 2.911 1.00 1.58 O ATOM 420 OE2 GLU A 27 -12.333 10.134 3.701 1.00 1.75 O ATOM 0 H GLU A 27 -10.298 11.106 -1.113 1.00 0.41 H new ATOM 0 HA GLU A 27 -8.803 11.851 1.063 1.00 0.42 H new ATOM 0 HB2 GLU A 27 -11.151 10.976 0.957 1.00 0.50 H new ATOM 0 HB3 GLU A 27 -10.529 9.381 0.583 1.00 0.50 H new ATOM 0 HG2 GLU A 27 -9.411 9.290 2.786 1.00 0.58 H new ATOM 0 HG3 GLU A 27 -10.005 10.895 3.161 1.00 0.58 H new ATOM 427 N ARG A 28 -6.751 10.497 1.138 1.00 0.33 N ATOM 428 CA ARG A 28 -5.545 9.696 1.199 1.00 0.33 C ATOM 429 C ARG A 28 -4.902 9.736 2.581 1.00 0.30 C ATOM 430 O ARG A 28 -4.881 10.762 3.257 1.00 0.36 O ATOM 431 CB ARG A 28 -4.552 10.120 0.091 1.00 0.48 C ATOM 432 CG ARG A 28 -3.577 11.233 0.459 1.00 0.72 C ATOM 433 CD ARG A 28 -2.304 10.675 1.091 1.00 0.76 C ATOM 434 NE ARG A 28 -1.347 11.724 1.440 1.00 1.75 N ATOM 435 CZ ARG A 28 -1.008 12.033 2.692 1.00 2.38 C ATOM 436 NH1 ARG A 28 -1.638 11.473 3.718 1.00 2.45 N ATOM 437 NH2 ARG A 28 -0.059 12.929 2.918 1.00 3.31 N ATOM 0 H ARG A 28 -6.643 11.463 1.448 1.00 0.33 H new ATOM 0 HA ARG A 28 -5.826 8.658 1.019 1.00 0.33 H new ATOM 0 HB2 ARG A 28 -3.977 9.244 -0.209 1.00 0.48 H new ATOM 0 HB3 ARG A 28 -5.124 10.439 -0.780 1.00 0.48 H new ATOM 0 HG2 ARG A 28 -3.321 11.804 -0.434 1.00 0.72 H new ATOM 0 HG3 ARG A 28 -4.056 11.924 1.153 1.00 0.72 H new ATOM 0 HD2 ARG A 28 -2.564 10.112 1.987 1.00 0.76 H new ATOM 0 HD3 ARG A 28 -1.835 9.975 0.399 1.00 0.76 H new ATOM 0 HE ARG A 28 -0.913 12.250 0.681 1.00 1.75 H new ATOM 0 HH11 ARG A 28 -2.387 10.801 3.551 1.00 2.45 H new ATOM 0 HH12 ARG A 28 -1.373 11.715 4.673 1.00 2.45 H new ATOM 0 HH21 ARG A 28 0.412 13.382 2.135 1.00 3.31 H new ATOM 0 HH22 ARG A 28 0.201 13.166 3.875 1.00 3.31 H new ATOM 451 N TYR A 29 -4.398 8.587 2.990 1.00 0.28 N ATOM 452 CA TYR A 29 -3.632 8.452 4.217 1.00 0.27 C ATOM 453 C TYR A 29 -2.289 7.864 3.843 1.00 0.25 C ATOM 454 O TYR A 29 -2.238 6.948 3.022 1.00 0.27 O ATOM 455 CB TYR A 29 -4.349 7.531 5.216 1.00 0.34 C ATOM 456 CG TYR A 29 -3.813 7.609 6.634 1.00 0.93 C ATOM 457 CD1 TYR A 29 -4.243 8.599 7.510 1.00 1.65 C ATOM 458 CD2 TYR A 29 -2.884 6.685 7.098 1.00 1.30 C ATOM 459 CE1 TYR A 29 -3.760 8.666 8.805 1.00 2.31 C ATOM 460 CE2 TYR A 29 -2.399 6.745 8.390 1.00 1.95 C ATOM 461 CZ TYR A 29 -2.838 7.737 9.240 1.00 2.36 C ATOM 462 OH TYR A 29 -2.354 7.795 10.529 1.00 3.09 O ATOM 0 H TYR A 29 -4.509 7.713 2.476 1.00 0.28 H new ATOM 0 HA TYR A 29 -3.517 9.424 4.696 1.00 0.27 H new ATOM 0 HB2 TYR A 29 -5.410 7.782 5.227 1.00 0.34 H new ATOM 0 HB3 TYR A 29 -4.268 6.502 4.866 1.00 0.34 H new ATOM 0 HD1 TYR A 29 -4.966 9.328 7.174 1.00 1.65 H new ATOM 0 HD2 TYR A 29 -2.535 5.906 6.436 1.00 1.30 H new ATOM 0 HE1 TYR A 29 -4.104 9.443 9.472 1.00 2.31 H new ATOM 0 HE2 TYR A 29 -1.678 6.017 8.733 1.00 1.95 H new ATOM 0 HH TYR A 29 -1.714 7.066 10.671 1.00 3.09 H new ATOM 472 N ASP A 30 -1.208 8.388 4.391 1.00 0.27 N ATOM 473 CA ASP A 30 0.095 7.842 4.068 1.00 0.30 C ATOM 474 C ASP A 30 0.297 6.564 4.865 1.00 0.25 C ATOM 475 O ASP A 30 0.227 6.545 6.094 1.00 0.34 O ATOM 476 CB ASP A 30 1.223 8.855 4.321 1.00 0.50 C ATOM 477 CG ASP A 30 1.374 9.263 5.773 1.00 1.27 C ATOM 478 OD1 ASP A 30 0.513 10.021 6.276 1.00 1.99 O ATOM 479 OD2 ASP A 30 2.337 8.803 6.421 1.00 2.01 O ATOM 0 H ASP A 30 -1.204 9.171 5.045 1.00 0.27 H new ATOM 0 HA ASP A 30 0.133 7.614 3.003 1.00 0.30 H new ATOM 0 HB2 ASP A 30 2.164 8.428 3.975 1.00 0.50 H new ATOM 0 HB3 ASP A 30 1.038 9.746 3.722 1.00 0.50 H new ATOM 484 N LEU A 31 0.496 5.495 4.135 1.00 0.18 N ATOM 485 CA LEU A 31 0.591 4.165 4.699 1.00 0.15 C ATOM 486 C LEU A 31 2.001 3.654 4.465 1.00 0.14 C ATOM 487 O LEU A 31 2.676 4.118 3.559 1.00 0.18 O ATOM 488 CB LEU A 31 -0.461 3.264 4.039 1.00 0.15 C ATOM 489 CG LEU A 31 -1.422 2.537 4.978 1.00 0.14 C ATOM 490 CD1 LEU A 31 -0.703 1.393 5.670 1.00 0.17 C ATOM 491 CD2 LEU A 31 -1.983 3.503 6.005 1.00 0.16 C ATOM 0 H LEU A 31 0.598 5.521 3.120 1.00 0.18 H new ATOM 0 HA LEU A 31 0.395 4.171 5.771 1.00 0.15 H new ATOM 0 HB2 LEU A 31 -1.050 3.873 3.353 1.00 0.15 H new ATOM 0 HB3 LEU A 31 0.058 2.518 3.437 1.00 0.15 H new ATOM 0 HG LEU A 31 -2.249 2.132 4.394 1.00 0.14 H new ATOM 0 HD11 LEU A 31 -1.395 0.879 6.338 1.00 0.17 H new ATOM 0 HD12 LEU A 31 -0.332 0.692 4.923 1.00 0.17 H new ATOM 0 HD13 LEU A 31 0.134 1.785 6.247 1.00 0.17 H new ATOM 0 HD21 LEU A 31 -2.666 2.973 6.668 1.00 0.16 H new ATOM 0 HD22 LEU A 31 -1.167 3.927 6.589 1.00 0.16 H new ATOM 0 HD23 LEU A 31 -2.520 4.304 5.496 1.00 0.16 H new ATOM 503 N LEU A 32 2.482 2.757 5.291 1.00 0.15 N ATOM 504 CA LEU A 32 3.857 2.323 5.155 1.00 0.16 C ATOM 505 C LEU A 32 3.914 0.895 4.642 1.00 0.14 C ATOM 506 O LEU A 32 3.124 0.047 5.057 1.00 0.14 O ATOM 507 CB LEU A 32 4.600 2.521 6.487 1.00 0.19 C ATOM 508 CG LEU A 32 5.758 1.561 6.780 1.00 0.22 C ATOM 509 CD1 LEU A 32 6.845 2.279 7.562 1.00 0.52 C ATOM 510 CD2 LEU A 32 5.265 0.356 7.572 1.00 0.73 C ATOM 0 H LEU A 32 1.958 2.320 6.049 1.00 0.15 H new ATOM 0 HA LEU A 32 4.369 2.934 4.412 1.00 0.16 H new ATOM 0 HB2 LEU A 32 4.988 3.539 6.512 1.00 0.19 H new ATOM 0 HB3 LEU A 32 3.875 2.436 7.297 1.00 0.19 H new ATOM 0 HG LEU A 32 6.167 1.214 5.831 1.00 0.22 H new ATOM 0 HD11 LEU A 32 7.663 1.588 7.765 1.00 0.52 H new ATOM 0 HD12 LEU A 32 7.217 3.121 6.978 1.00 0.52 H new ATOM 0 HD13 LEU A 32 6.435 2.643 8.504 1.00 0.52 H new ATOM 0 HD21 LEU A 32 6.101 -0.315 7.771 1.00 0.73 H new ATOM 0 HD22 LEU A 32 4.836 0.692 8.516 1.00 0.73 H new ATOM 0 HD23 LEU A 32 4.505 -0.172 6.996 1.00 0.73 H new ATOM 522 N VAL A 33 4.866 0.643 3.744 1.00 0.14 N ATOM 523 CA VAL A 33 4.989 -0.651 3.082 1.00 0.14 C ATOM 524 C VAL A 33 5.330 -1.713 4.114 1.00 0.14 C ATOM 525 O VAL A 33 6.027 -1.437 5.086 1.00 0.15 O ATOM 526 CB VAL A 33 6.068 -0.614 1.947 1.00 0.17 C ATOM 527 CG1 VAL A 33 7.053 -1.773 2.048 1.00 0.98 C ATOM 528 CG2 VAL A 33 5.386 -0.628 0.590 1.00 1.15 C ATOM 0 H VAL A 33 5.568 1.326 3.458 1.00 0.14 H new ATOM 0 HA VAL A 33 4.036 -0.895 2.612 1.00 0.14 H new ATOM 0 HB VAL A 33 6.639 0.307 2.066 1.00 0.17 H new ATOM 0 HG11 VAL A 33 7.781 -1.703 1.240 1.00 0.98 H new ATOM 0 HG12 VAL A 33 7.570 -1.729 3.007 1.00 0.98 H new ATOM 0 HG13 VAL A 33 6.513 -2.717 1.970 1.00 0.98 H new ATOM 0 HG21 VAL A 33 6.140 -0.602 -0.197 1.00 1.15 H new ATOM 0 HG22 VAL A 33 4.790 -1.535 0.492 1.00 1.15 H new ATOM 0 HG23 VAL A 33 4.738 0.243 0.500 1.00 1.15 H new ATOM 538 N THR A 34 4.852 -2.928 3.898 1.00 0.14 N ATOM 539 CA THR A 34 4.826 -3.918 4.946 1.00 0.17 C ATOM 540 C THR A 34 6.182 -4.592 5.090 1.00 0.17 C ATOM 541 O THR A 34 6.688 -5.242 4.169 1.00 0.18 O ATOM 542 CB THR A 34 3.745 -4.978 4.671 1.00 0.19 C ATOM 543 OG1 THR A 34 2.488 -4.331 4.417 1.00 0.21 O ATOM 544 CG2 THR A 34 3.597 -5.934 5.849 1.00 0.23 C ATOM 0 H THR A 34 4.478 -3.246 3.004 1.00 0.14 H new ATOM 0 HA THR A 34 4.588 -3.406 5.878 1.00 0.17 H new ATOM 0 HB THR A 34 4.049 -5.555 3.798 1.00 0.19 H new ATOM 0 HG1 THR A 34 2.559 -3.784 3.607 1.00 0.21 H new ATOM 0 HG21 THR A 34 2.826 -6.671 5.625 1.00 0.23 H new ATOM 0 HG22 THR A 34 4.545 -6.443 6.026 1.00 0.23 H new ATOM 0 HG23 THR A 34 3.314 -5.373 6.740 1.00 0.23 H new ATOM 552 N PRO A 35 6.781 -4.408 6.273 1.00 0.18 N ATOM 553 CA PRO A 35 8.122 -4.878 6.593 1.00 0.20 C ATOM 554 C PRO A 35 8.193 -6.395 6.740 1.00 0.23 C ATOM 555 O PRO A 35 7.171 -7.061 6.909 1.00 0.35 O ATOM 556 CB PRO A 35 8.432 -4.185 7.916 1.00 0.27 C ATOM 557 CG PRO A 35 7.104 -4.012 8.553 1.00 0.32 C ATOM 558 CD PRO A 35 6.158 -3.721 7.423 1.00 0.22 C ATOM 0 HA PRO A 35 8.835 -4.647 5.802 1.00 0.20 H new ATOM 0 HB2 PRO A 35 9.096 -4.788 8.536 1.00 0.27 H new ATOM 0 HB3 PRO A 35 8.926 -3.226 7.758 1.00 0.27 H new ATOM 0 HG2 PRO A 35 6.807 -4.911 9.093 1.00 0.32 H new ATOM 0 HG3 PRO A 35 7.117 -3.196 9.275 1.00 0.32 H new ATOM 0 HD2 PRO A 35 5.158 -4.104 7.627 1.00 0.22 H new ATOM 0 HD3 PRO A 35 6.059 -2.650 7.247 1.00 0.22 H new ATOM 566 N GLN A 36 9.419 -6.906 6.668 1.00 0.26 N ATOM 567 CA GLN A 36 9.715 -8.335 6.654 1.00 0.29 C ATOM 568 C GLN A 36 9.437 -8.925 5.274 1.00 0.30 C ATOM 569 O GLN A 36 8.507 -9.706 5.078 1.00 0.73 O ATOM 570 CB GLN A 36 8.963 -9.095 7.758 1.00 0.42 C ATOM 571 CG GLN A 36 9.294 -8.596 9.156 1.00 0.59 C ATOM 572 CD GLN A 36 8.639 -9.417 10.250 1.00 0.98 C ATOM 573 OE1 GLN A 36 9.218 -10.383 10.753 1.00 1.69 O ATOM 574 NE2 GLN A 36 7.425 -9.043 10.622 1.00 1.72 N ATOM 0 H GLN A 36 10.255 -6.323 6.617 1.00 0.26 H new ATOM 0 HA GLN A 36 10.777 -8.454 6.868 1.00 0.29 H new ATOM 0 HB2 GLN A 36 7.890 -9.001 7.590 1.00 0.42 H new ATOM 0 HB3 GLN A 36 9.205 -10.156 7.690 1.00 0.42 H new ATOM 0 HG2 GLN A 36 10.375 -8.613 9.295 1.00 0.59 H new ATOM 0 HG3 GLN A 36 8.977 -7.557 9.250 1.00 0.59 H new ATOM 0 HE21 GLN A 36 6.982 -8.238 10.180 1.00 1.72 H new ATOM 0 HE22 GLN A 36 6.933 -9.560 11.351 1.00 1.72 H new ATOM 583 N GLN A 37 10.263 -8.515 4.319 1.00 0.33 N ATOM 584 CA GLN A 37 10.215 -9.025 2.958 1.00 0.26 C ATOM 585 C GLN A 37 11.585 -8.881 2.328 1.00 0.30 C ATOM 586 O GLN A 37 12.407 -9.796 2.345 1.00 0.74 O ATOM 587 CB GLN A 37 9.201 -8.269 2.084 1.00 0.23 C ATOM 588 CG GLN A 37 8.116 -9.166 1.515 1.00 0.26 C ATOM 589 CD GLN A 37 8.576 -10.602 1.337 1.00 0.44 C ATOM 590 OE1 GLN A 37 9.109 -10.974 0.291 1.00 1.02 O ATOM 591 NE2 GLN A 37 8.378 -11.417 2.362 1.00 1.42 N ATOM 0 H GLN A 37 10.989 -7.815 4.470 1.00 0.33 H new ATOM 0 HA GLN A 37 9.906 -10.069 3.012 1.00 0.26 H new ATOM 0 HB2 GLN A 37 8.738 -7.480 2.676 1.00 0.23 H new ATOM 0 HB3 GLN A 37 9.729 -7.783 1.264 1.00 0.23 H new ATOM 0 HG2 GLN A 37 7.250 -9.146 2.176 1.00 0.26 H new ATOM 0 HG3 GLN A 37 7.791 -8.771 0.552 1.00 0.26 H new ATOM 0 HE21 GLN A 37 7.933 -11.069 3.211 1.00 1.42 H new ATOM 0 HE22 GLN A 37 8.671 -12.392 2.302 1.00 1.42 H new ATOM 600 N GLY A 38 11.804 -7.704 1.776 1.00 0.43 N ATOM 601 CA GLY A 38 13.095 -7.316 1.270 1.00 0.34 C ATOM 602 C GLY A 38 13.160 -5.816 1.215 1.00 0.38 C ATOM 603 O GLY A 38 13.955 -5.253 0.473 1.00 0.83 O ATOM 0 H GLY A 38 11.084 -6.990 1.668 1.00 0.43 H new ATOM 0 HA2 GLY A 38 13.885 -7.705 1.912 1.00 0.34 H new ATOM 0 HA3 GLY A 38 13.254 -7.738 0.278 1.00 0.34 H new ATOM 607 N ASN A 39 12.285 -5.204 2.032 1.00 0.27 N ATOM 608 CA ASN A 39 11.974 -3.758 2.061 1.00 0.22 C ATOM 609 C ASN A 39 11.567 -3.165 0.704 1.00 0.21 C ATOM 610 O ASN A 39 10.725 -2.278 0.652 1.00 0.27 O ATOM 611 CB ASN A 39 13.080 -2.934 2.747 1.00 0.29 C ATOM 612 CG ASN A 39 14.406 -2.821 2.002 1.00 0.40 C ATOM 613 OD1 ASN A 39 14.456 -2.693 0.780 1.00 1.06 O ATOM 614 ND2 ASN A 39 15.497 -2.874 2.749 1.00 1.11 N ATOM 0 H ASN A 39 11.748 -5.726 2.724 1.00 0.27 H new ATOM 0 HA ASN A 39 11.079 -3.682 2.679 1.00 0.22 H new ATOM 0 HB2 ASN A 39 12.699 -1.928 2.919 1.00 0.29 H new ATOM 0 HB3 ASN A 39 13.275 -3.373 3.726 1.00 0.29 H new ATOM 0 HD21 ASN A 39 16.417 -2.808 2.313 1.00 1.11 H new ATOM 0 HD22 ASN A 39 15.418 -2.981 3.760 1.00 1.11 H new ATOM 621 N SER A 40 12.126 -3.668 -0.372 1.00 0.24 N ATOM 622 CA SER A 40 11.830 -3.164 -1.697 1.00 0.32 C ATOM 623 C SER A 40 10.634 -3.899 -2.278 1.00 0.32 C ATOM 624 O SER A 40 9.872 -3.355 -3.062 1.00 0.50 O ATOM 625 CB SER A 40 13.044 -3.359 -2.600 1.00 0.40 C ATOM 626 OG SER A 40 14.229 -2.904 -1.961 1.00 1.42 O ATOM 0 H SER A 40 12.797 -4.436 -0.356 1.00 0.24 H new ATOM 0 HA SER A 40 11.594 -2.102 -1.631 1.00 0.32 H new ATOM 0 HB2 SER A 40 13.146 -4.414 -2.856 1.00 0.40 H new ATOM 0 HB3 SER A 40 12.898 -2.817 -3.534 1.00 0.40 H new ATOM 0 HG SER A 40 14.072 -2.827 -0.997 1.00 1.42 H new ATOM 632 N GLU A 41 10.457 -5.132 -1.848 1.00 0.24 N ATOM 633 CA GLU A 41 9.456 -5.998 -2.422 1.00 0.31 C ATOM 634 C GLU A 41 8.517 -6.478 -1.335 1.00 0.26 C ATOM 635 O GLU A 41 8.718 -7.537 -0.759 1.00 0.30 O ATOM 636 CB GLU A 41 10.133 -7.165 -3.146 1.00 0.45 C ATOM 637 CG GLU A 41 11.283 -7.789 -2.374 1.00 1.12 C ATOM 638 CD GLU A 41 12.052 -8.798 -3.196 1.00 1.32 C ATOM 639 OE1 GLU A 41 11.667 -9.985 -3.192 1.00 1.83 O ATOM 640 OE2 GLU A 41 13.041 -8.412 -3.853 1.00 1.66 O ATOM 0 H GLU A 41 11.000 -5.556 -1.096 1.00 0.24 H new ATOM 0 HA GLU A 41 8.866 -5.450 -3.157 1.00 0.31 H new ATOM 0 HB2 GLU A 41 9.387 -7.933 -3.351 1.00 0.45 H new ATOM 0 HB3 GLU A 41 10.503 -6.815 -4.110 1.00 0.45 H new ATOM 0 HG2 GLU A 41 11.961 -7.004 -2.041 1.00 1.12 H new ATOM 0 HG3 GLU A 41 10.894 -8.275 -1.479 1.00 1.12 H new ATOM 647 N PRO A 42 7.491 -5.674 -1.039 1.00 0.22 N ATOM 648 CA PRO A 42 6.536 -5.933 0.042 1.00 0.21 C ATOM 649 C PRO A 42 5.763 -7.236 -0.148 1.00 0.20 C ATOM 650 O PRO A 42 5.752 -7.816 -1.227 1.00 0.20 O ATOM 651 CB PRO A 42 5.577 -4.742 -0.014 1.00 0.23 C ATOM 652 CG PRO A 42 6.289 -3.699 -0.795 1.00 0.26 C ATOM 653 CD PRO A 42 7.169 -4.433 -1.759 1.00 0.24 C ATOM 0 HA PRO A 42 7.048 -6.041 0.998 1.00 0.21 H new ATOM 0 HB2 PRO A 42 4.637 -5.017 -0.492 1.00 0.23 H new ATOM 0 HB3 PRO A 42 5.334 -4.386 0.987 1.00 0.23 H new ATOM 0 HG2 PRO A 42 5.583 -3.057 -1.322 1.00 0.26 H new ATOM 0 HG3 PRO A 42 6.878 -3.056 -0.141 1.00 0.26 H new ATOM 0 HD2 PRO A 42 6.656 -4.634 -2.700 1.00 0.24 H new ATOM 0 HD3 PRO A 42 8.066 -3.863 -2.000 1.00 0.24 H new ATOM 661 N VAL A 43 5.118 -7.693 0.914 1.00 0.21 N ATOM 662 CA VAL A 43 4.421 -8.971 0.888 1.00 0.22 C ATOM 663 C VAL A 43 3.115 -8.850 0.126 1.00 0.19 C ATOM 664 O VAL A 43 2.615 -7.744 -0.058 1.00 0.17 O ATOM 665 CB VAL A 43 4.102 -9.498 2.308 1.00 0.26 C ATOM 666 CG1 VAL A 43 5.367 -9.807 3.085 1.00 0.32 C ATOM 667 CG2 VAL A 43 3.241 -8.508 3.077 1.00 0.24 C ATOM 0 H VAL A 43 5.062 -7.199 1.805 1.00 0.21 H new ATOM 0 HA VAL A 43 5.092 -9.674 0.395 1.00 0.22 H new ATOM 0 HB VAL A 43 3.543 -10.426 2.189 1.00 0.26 H new ATOM 0 HG11 VAL A 43 5.104 -10.175 4.077 1.00 0.32 H new ATOM 0 HG12 VAL A 43 5.942 -10.568 2.557 1.00 0.32 H new ATOM 0 HG13 VAL A 43 5.966 -8.901 3.181 1.00 0.32 H new ATOM 0 HG21 VAL A 43 3.032 -8.903 4.071 1.00 0.24 H new ATOM 0 HG22 VAL A 43 3.770 -7.559 3.168 1.00 0.24 H new ATOM 0 HG23 VAL A 43 2.303 -8.351 2.544 1.00 0.24 H new ATOM 677 N VAL A 44 2.542 -9.980 -0.276 1.00 0.22 N ATOM 678 CA VAL A 44 1.260 -9.991 -0.983 1.00 0.22 C ATOM 679 C VAL A 44 0.225 -9.193 -0.202 1.00 0.20 C ATOM 680 O VAL A 44 -0.620 -8.502 -0.769 1.00 0.25 O ATOM 681 CB VAL A 44 0.751 -11.433 -1.182 1.00 0.27 C ATOM 682 CG1 VAL A 44 1.477 -12.100 -2.340 1.00 0.36 C ATOM 683 CG2 VAL A 44 0.926 -12.253 0.092 1.00 0.36 C ATOM 0 H VAL A 44 2.945 -10.905 -0.125 1.00 0.22 H new ATOM 0 HA VAL A 44 1.412 -9.536 -1.962 1.00 0.22 H new ATOM 0 HB VAL A 44 -0.313 -11.386 -1.416 1.00 0.27 H new ATOM 0 HG11 VAL A 44 1.105 -13.117 -2.466 1.00 0.36 H new ATOM 0 HG12 VAL A 44 1.301 -11.534 -3.254 1.00 0.36 H new ATOM 0 HG13 VAL A 44 2.546 -12.128 -2.131 1.00 0.36 H new ATOM 0 HG21 VAL A 44 0.560 -13.266 -0.074 1.00 0.36 H new ATOM 0 HG22 VAL A 44 1.982 -12.288 0.360 1.00 0.36 H new ATOM 0 HG23 VAL A 44 0.362 -11.791 0.902 1.00 0.36 H new ATOM 693 N GLN A 45 0.360 -9.254 1.107 1.00 0.19 N ATOM 694 CA GLN A 45 -0.568 -8.625 2.030 1.00 0.19 C ATOM 695 C GLN A 45 -0.521 -7.110 1.907 1.00 0.16 C ATOM 696 O GLN A 45 -1.534 -6.448 2.074 1.00 0.19 O ATOM 697 CB GLN A 45 -0.264 -9.046 3.466 1.00 0.25 C ATOM 698 CG GLN A 45 -0.431 -10.536 3.704 1.00 0.62 C ATOM 699 CD GLN A 45 -0.055 -10.947 5.112 1.00 0.89 C ATOM 700 OE1 GLN A 45 0.818 -10.347 5.733 1.00 1.66 O ATOM 701 NE2 GLN A 45 -0.719 -11.967 5.628 1.00 1.44 N ATOM 0 H GLN A 45 1.125 -9.747 1.567 1.00 0.19 H new ATOM 0 HA GLN A 45 -1.573 -8.957 1.771 1.00 0.19 H new ATOM 0 HB2 GLN A 45 0.758 -8.758 3.713 1.00 0.25 H new ATOM 0 HB3 GLN A 45 -0.921 -8.501 4.144 1.00 0.25 H new ATOM 0 HG2 GLN A 45 -1.466 -10.817 3.512 1.00 0.62 H new ATOM 0 HG3 GLN A 45 0.186 -11.085 2.992 1.00 0.62 H new ATOM 0 HE21 GLN A 45 -1.437 -12.438 5.078 1.00 1.44 H new ATOM 0 HE22 GLN A 45 -0.513 -12.282 6.576 1.00 1.44 H new ATOM 710 N ASP A 46 0.658 -6.584 1.587 1.00 0.15 N ATOM 711 CA ASP A 46 0.936 -5.152 1.681 1.00 0.14 C ATOM 712 C ASP A 46 -0.049 -4.328 0.862 1.00 0.14 C ATOM 713 O ASP A 46 -0.523 -3.290 1.317 1.00 0.15 O ATOM 714 CB ASP A 46 2.359 -4.879 1.189 1.00 0.17 C ATOM 715 CG ASP A 46 2.627 -3.405 0.980 1.00 0.14 C ATOM 716 OD1 ASP A 46 3.039 -2.731 1.951 1.00 0.16 O ATOM 717 OD2 ASP A 46 2.419 -2.924 -0.146 1.00 0.17 O ATOM 0 H ASP A 46 1.448 -7.137 1.255 1.00 0.15 H new ATOM 0 HA ASP A 46 0.831 -4.858 2.725 1.00 0.14 H new ATOM 0 HB2 ASP A 46 3.072 -5.276 1.912 1.00 0.17 H new ATOM 0 HB3 ASP A 46 2.525 -5.411 0.252 1.00 0.17 H new ATOM 722 N LEU A 47 -0.387 -4.809 -0.322 1.00 0.18 N ATOM 723 CA LEU A 47 -1.273 -4.070 -1.206 1.00 0.22 C ATOM 724 C LEU A 47 -2.640 -3.858 -0.547 1.00 0.19 C ATOM 725 O LEU A 47 -3.175 -2.740 -0.530 1.00 0.22 O ATOM 726 CB LEU A 47 -1.383 -4.806 -2.558 1.00 0.28 C ATOM 727 CG LEU A 47 -1.646 -6.320 -2.486 1.00 0.62 C ATOM 728 CD1 LEU A 47 -3.126 -6.630 -2.398 1.00 1.07 C ATOM 729 CD2 LEU A 47 -1.043 -7.028 -3.682 1.00 1.01 C ATOM 0 H LEU A 47 -0.064 -5.703 -0.692 1.00 0.18 H new ATOM 0 HA LEU A 47 -0.859 -3.080 -1.396 1.00 0.22 H new ATOM 0 HB2 LEU A 47 -2.185 -4.346 -3.135 1.00 0.28 H new ATOM 0 HB3 LEU A 47 -0.459 -4.645 -3.113 1.00 0.28 H new ATOM 0 HG LEU A 47 -1.169 -6.685 -1.576 1.00 0.62 H new ATOM 0 HD11 LEU A 47 -3.269 -7.709 -2.349 1.00 1.07 H new ATOM 0 HD12 LEU A 47 -3.542 -6.168 -1.503 1.00 1.07 H new ATOM 0 HD13 LEU A 47 -3.633 -6.236 -3.279 1.00 1.07 H new ATOM 0 HD21 LEU A 47 -1.241 -8.097 -3.610 1.00 1.01 H new ATOM 0 HD22 LEU A 47 -1.487 -6.638 -4.598 1.00 1.01 H new ATOM 0 HD23 LEU A 47 0.034 -6.859 -3.700 1.00 1.01 H new ATOM 741 N ALA A 48 -3.164 -4.918 0.048 1.00 0.18 N ATOM 742 CA ALA A 48 -4.424 -4.855 0.770 1.00 0.17 C ATOM 743 C ALA A 48 -4.249 -4.049 2.039 1.00 0.14 C ATOM 744 O ALA A 48 -5.099 -3.246 2.406 1.00 0.16 O ATOM 745 CB ALA A 48 -4.915 -6.257 1.100 1.00 0.19 C ATOM 0 H ALA A 48 -2.730 -5.841 0.044 1.00 0.18 H new ATOM 0 HA ALA A 48 -5.168 -4.368 0.140 1.00 0.17 H new ATOM 0 HB1 ALA A 48 -5.859 -6.194 1.641 1.00 0.19 H new ATOM 0 HB2 ALA A 48 -5.062 -6.818 0.177 1.00 0.19 H new ATOM 0 HB3 ALA A 48 -4.176 -6.765 1.719 1.00 0.19 H new ATOM 751 N GLN A 49 -3.100 -4.249 2.657 1.00 0.13 N ATOM 752 CA GLN A 49 -2.789 -3.699 3.960 1.00 0.13 C ATOM 753 C GLN A 49 -2.806 -2.197 3.941 1.00 0.12 C ATOM 754 O GLN A 49 -3.399 -1.558 4.799 1.00 0.13 O ATOM 755 CB GLN A 49 -1.391 -4.152 4.371 1.00 0.15 C ATOM 756 CG GLN A 49 -0.838 -3.465 5.608 1.00 0.20 C ATOM 757 CD GLN A 49 -1.298 -4.097 6.915 1.00 0.33 C ATOM 758 OE1 GLN A 49 -0.567 -4.093 7.903 1.00 0.94 O ATOM 759 NE2 GLN A 49 -2.518 -4.613 6.943 1.00 1.35 N ATOM 0 H GLN A 49 -2.345 -4.808 2.260 1.00 0.13 H new ATOM 0 HA GLN A 49 -3.543 -4.052 4.663 1.00 0.13 H new ATOM 0 HB2 GLN A 49 -1.410 -5.227 4.547 1.00 0.15 H new ATOM 0 HB3 GLN A 49 -0.708 -3.977 3.539 1.00 0.15 H new ATOM 0 HG2 GLN A 49 0.251 -3.485 5.568 1.00 0.20 H new ATOM 0 HG3 GLN A 49 -1.138 -2.417 5.596 1.00 0.20 H new ATOM 0 HE21 GLN A 49 -3.097 -4.599 6.103 1.00 1.35 H new ATOM 0 HE22 GLN A 49 -2.878 -5.024 7.804 1.00 1.35 H new ATOM 768 N LEU A 50 -2.142 -1.653 2.956 1.00 0.12 N ATOM 769 CA LEU A 50 -1.980 -0.218 2.860 1.00 0.12 C ATOM 770 C LEU A 50 -3.341 0.481 2.753 1.00 0.12 C ATOM 771 O LEU A 50 -3.680 1.357 3.566 1.00 0.13 O ATOM 772 CB LEU A 50 -1.113 0.091 1.647 1.00 0.12 C ATOM 773 CG LEU A 50 0.327 -0.449 1.705 1.00 0.11 C ATOM 774 CD1 LEU A 50 1.042 -0.201 0.388 1.00 0.12 C ATOM 775 CD2 LEU A 50 1.086 0.185 2.852 1.00 0.13 C ATOM 0 H LEU A 50 -1.701 -2.181 2.203 1.00 0.12 H new ATOM 0 HA LEU A 50 -1.496 0.157 3.762 1.00 0.12 H new ATOM 0 HB2 LEU A 50 -1.600 -0.317 0.761 1.00 0.12 H new ATOM 0 HB3 LEU A 50 -1.072 1.173 1.518 1.00 0.12 H new ATOM 0 HG LEU A 50 0.285 -1.525 1.875 1.00 0.11 H new ATOM 0 HD11 LEU A 50 2.059 -0.589 0.447 1.00 0.12 H new ATOM 0 HD12 LEU A 50 0.507 -0.705 -0.417 1.00 0.12 H new ATOM 0 HD13 LEU A 50 1.074 0.870 0.187 1.00 0.12 H new ATOM 0 HD21 LEU A 50 2.102 -0.209 2.878 1.00 0.13 H new ATOM 0 HD22 LEU A 50 1.119 1.266 2.713 1.00 0.13 H new ATOM 0 HD23 LEU A 50 0.584 -0.045 3.792 1.00 0.13 H new ATOM 787 N VAL A 51 -4.152 0.041 1.802 1.00 0.11 N ATOM 788 CA VAL A 51 -5.460 0.617 1.593 1.00 0.10 C ATOM 789 C VAL A 51 -6.348 0.379 2.821 1.00 0.10 C ATOM 790 O VAL A 51 -7.146 1.238 3.206 1.00 0.10 O ATOM 791 CB VAL A 51 -6.060 0.007 0.329 1.00 0.11 C ATOM 792 CG1 VAL A 51 -7.400 -0.650 0.577 1.00 0.21 C ATOM 793 CG2 VAL A 51 -6.162 1.063 -0.748 1.00 0.18 C ATOM 0 H VAL A 51 -3.919 -0.718 1.162 1.00 0.11 H new ATOM 0 HA VAL A 51 -5.385 1.696 1.460 1.00 0.10 H new ATOM 0 HB VAL A 51 -5.391 -0.786 -0.005 1.00 0.11 H new ATOM 0 HG11 VAL A 51 -7.779 -1.066 -0.356 1.00 0.21 H new ATOM 0 HG12 VAL A 51 -7.284 -1.448 1.310 1.00 0.21 H new ATOM 0 HG13 VAL A 51 -8.104 0.091 0.956 1.00 0.21 H new ATOM 0 HG21 VAL A 51 -6.591 0.624 -1.649 1.00 0.18 H new ATOM 0 HG22 VAL A 51 -6.800 1.876 -0.401 1.00 0.18 H new ATOM 0 HG23 VAL A 51 -5.169 1.452 -0.971 1.00 0.18 H new ATOM 803 N GLU A 52 -6.152 -0.782 3.447 1.00 0.11 N ATOM 804 CA GLU A 52 -6.901 -1.191 4.632 1.00 0.12 C ATOM 805 C GLU A 52 -6.536 -0.341 5.844 1.00 0.13 C ATOM 806 O GLU A 52 -7.409 0.207 6.519 1.00 0.16 O ATOM 807 CB GLU A 52 -6.601 -2.668 4.921 1.00 0.17 C ATOM 808 CG GLU A 52 -6.937 -3.119 6.332 1.00 0.50 C ATOM 809 CD GLU A 52 -6.666 -4.591 6.542 1.00 0.53 C ATOM 810 OE1 GLU A 52 -5.533 -4.943 6.936 1.00 0.74 O ATOM 811 OE2 GLU A 52 -7.580 -5.409 6.307 1.00 0.74 O ATOM 0 H GLU A 52 -5.463 -1.469 3.142 1.00 0.11 H new ATOM 0 HA GLU A 52 -7.965 -1.051 4.439 1.00 0.12 H new ATOM 0 HB2 GLU A 52 -7.159 -3.283 4.215 1.00 0.17 H new ATOM 0 HB3 GLU A 52 -5.543 -2.852 4.737 1.00 0.17 H new ATOM 0 HG2 GLU A 52 -6.352 -2.539 7.046 1.00 0.50 H new ATOM 0 HG3 GLU A 52 -7.987 -2.912 6.537 1.00 0.50 H new ATOM 818 N GLU A 53 -5.241 -0.200 6.086 1.00 0.13 N ATOM 819 CA GLU A 53 -4.750 0.450 7.291 1.00 0.15 C ATOM 820 C GLU A 53 -5.036 1.941 7.269 1.00 0.16 C ATOM 821 O GLU A 53 -5.130 2.574 8.321 1.00 0.19 O ATOM 822 CB GLU A 53 -3.251 0.210 7.458 1.00 0.19 C ATOM 823 CG GLU A 53 -2.623 1.046 8.559 1.00 0.24 C ATOM 824 CD GLU A 53 -2.109 0.207 9.709 1.00 0.84 C ATOM 825 OE1 GLU A 53 -2.896 -0.056 10.645 1.00 1.32 O ATOM 826 OE2 GLU A 53 -0.926 -0.187 9.691 1.00 1.51 O ATOM 0 H GLU A 53 -4.507 -0.530 5.459 1.00 0.13 H new ATOM 0 HA GLU A 53 -5.277 0.013 8.139 1.00 0.15 H new ATOM 0 HB2 GLU A 53 -3.082 -0.845 7.672 1.00 0.19 H new ATOM 0 HB3 GLU A 53 -2.749 0.428 6.516 1.00 0.19 H new ATOM 0 HG2 GLU A 53 -1.800 1.628 8.143 1.00 0.24 H new ATOM 0 HG3 GLU A 53 -3.359 1.757 8.934 1.00 0.24 H new ATOM 833 N ALA A 54 -5.195 2.500 6.076 1.00 0.16 N ATOM 834 CA ALA A 54 -5.415 3.931 5.951 1.00 0.18 C ATOM 835 C ALA A 54 -6.617 4.386 6.769 1.00 0.21 C ATOM 836 O ALA A 54 -6.540 5.386 7.481 1.00 0.30 O ATOM 837 CB ALA A 54 -5.612 4.309 4.497 1.00 0.24 C ATOM 0 H ALA A 54 -5.176 1.990 5.193 1.00 0.16 H new ATOM 0 HA ALA A 54 -4.530 4.435 6.339 1.00 0.18 H new ATOM 0 HB1 ALA A 54 -5.776 5.384 4.419 1.00 0.24 H new ATOM 0 HB2 ALA A 54 -4.725 4.035 3.926 1.00 0.24 H new ATOM 0 HB3 ALA A 54 -6.478 3.780 4.098 1.00 0.24 H new ATOM 843 N THR A 55 -7.727 3.676 6.659 1.00 0.25 N ATOM 844 CA THR A 55 -8.903 4.020 7.447 1.00 0.33 C ATOM 845 C THR A 55 -9.282 2.947 8.470 1.00 0.29 C ATOM 846 O THR A 55 -10.206 3.142 9.265 1.00 0.39 O ATOM 847 CB THR A 55 -10.089 4.299 6.524 1.00 0.51 C ATOM 848 OG1 THR A 55 -9.823 3.717 5.241 1.00 1.14 O ATOM 849 CG2 THR A 55 -10.327 5.794 6.382 1.00 1.66 C ATOM 0 H THR A 55 -7.841 2.871 6.043 1.00 0.25 H new ATOM 0 HA THR A 55 -8.646 4.916 8.012 1.00 0.33 H new ATOM 0 HB THR A 55 -10.988 3.858 6.954 1.00 0.51 H new ATOM 0 HG1 THR A 55 -9.132 4.239 4.782 1.00 1.14 H new ATOM 0 HG21 THR A 55 -11.176 5.966 5.720 1.00 1.66 H new ATOM 0 HG22 THR A 55 -10.537 6.224 7.361 1.00 1.66 H new ATOM 0 HG23 THR A 55 -9.438 6.266 5.962 1.00 1.66 H new ATOM 857 N GLY A 56 -8.575 1.820 8.459 1.00 0.25 N ATOM 858 CA GLY A 56 -8.904 0.739 9.376 1.00 0.26 C ATOM 859 C GLY A 56 -9.997 -0.153 8.820 1.00 0.29 C ATOM 860 O GLY A 56 -10.687 -0.853 9.563 1.00 0.34 O ATOM 0 H GLY A 56 -7.787 1.635 7.838 1.00 0.25 H new ATOM 0 HA2 GLY A 56 -8.012 0.143 9.572 1.00 0.26 H new ATOM 0 HA3 GLY A 56 -9.225 1.156 10.331 1.00 0.26 H new ATOM 864 N VAL A 57 -10.154 -0.105 7.508 1.00 0.30 N ATOM 865 CA VAL A 57 -11.256 -0.764 6.819 1.00 0.36 C ATOM 866 C VAL A 57 -10.888 -2.195 6.440 1.00 0.29 C ATOM 867 O VAL A 57 -9.764 -2.460 6.043 1.00 0.26 O ATOM 868 CB VAL A 57 -11.617 0.019 5.542 1.00 0.50 C ATOM 869 CG1 VAL A 57 -12.842 -0.558 4.856 1.00 1.62 C ATOM 870 CG2 VAL A 57 -11.835 1.480 5.872 1.00 1.33 C ATOM 0 H VAL A 57 -9.519 0.394 6.886 1.00 0.30 H new ATOM 0 HA VAL A 57 -12.110 -0.789 7.496 1.00 0.36 H new ATOM 0 HB VAL A 57 -10.781 -0.071 4.848 1.00 0.50 H new ATOM 0 HG11 VAL A 57 -13.064 0.022 3.960 1.00 1.62 H new ATOM 0 HG12 VAL A 57 -12.650 -1.595 4.579 1.00 1.62 H new ATOM 0 HG13 VAL A 57 -13.693 -0.516 5.536 1.00 1.62 H new ATOM 0 HG21 VAL A 57 -12.090 2.024 4.963 1.00 1.33 H new ATOM 0 HG22 VAL A 57 -12.649 1.573 6.591 1.00 1.33 H new ATOM 0 HG23 VAL A 57 -10.923 1.896 6.301 1.00 1.33 H new ATOM 880 N PRO A 58 -11.828 -3.136 6.590 1.00 0.32 N ATOM 881 CA PRO A 58 -11.651 -4.531 6.169 1.00 0.34 C ATOM 882 C PRO A 58 -11.667 -4.704 4.648 1.00 0.31 C ATOM 883 O PRO A 58 -12.232 -3.870 3.933 1.00 0.27 O ATOM 884 CB PRO A 58 -12.858 -5.231 6.779 1.00 0.39 C ATOM 885 CG PRO A 58 -13.892 -4.168 6.774 1.00 0.39 C ATOM 886 CD PRO A 58 -13.159 -2.931 7.197 1.00 0.37 C ATOM 0 HA PRO A 58 -10.686 -4.925 6.489 1.00 0.34 H new ATOM 0 HB2 PRO A 58 -13.164 -6.096 6.190 1.00 0.39 H new ATOM 0 HB3 PRO A 58 -12.651 -5.589 7.787 1.00 0.39 H new ATOM 0 HG2 PRO A 58 -14.334 -4.049 5.785 1.00 0.39 H new ATOM 0 HG3 PRO A 58 -14.705 -4.402 7.461 1.00 0.39 H new ATOM 0 HD2 PRO A 58 -13.640 -2.026 6.827 1.00 0.37 H new ATOM 0 HD3 PRO A 58 -13.103 -2.842 8.282 1.00 0.37 H new ATOM 894 N LEU A 59 -11.075 -5.794 4.166 1.00 0.35 N ATOM 895 CA LEU A 59 -11.021 -6.102 2.729 1.00 0.36 C ATOM 896 C LEU A 59 -12.379 -5.900 2.000 1.00 0.36 C ATOM 897 O LEU A 59 -12.400 -5.289 0.934 1.00 0.37 O ATOM 898 CB LEU A 59 -10.512 -7.545 2.545 1.00 0.45 C ATOM 899 CG LEU A 59 -10.226 -7.996 1.105 1.00 1.21 C ATOM 900 CD1 LEU A 59 -9.244 -9.157 1.110 1.00 1.79 C ATOM 901 CD2 LEU A 59 -11.504 -8.411 0.384 1.00 2.08 C ATOM 0 H LEU A 59 -10.618 -6.491 4.755 1.00 0.35 H new ATOM 0 HA LEU A 59 -10.333 -5.394 2.268 1.00 0.36 H new ATOM 0 HB2 LEU A 59 -9.597 -7.660 3.126 1.00 0.45 H new ATOM 0 HB3 LEU A 59 -11.249 -8.223 2.974 1.00 0.45 H new ATOM 0 HG LEU A 59 -9.794 -7.150 0.571 1.00 1.21 H new ATOM 0 HD11 LEU A 59 -9.046 -9.471 0.085 1.00 1.79 H new ATOM 0 HD12 LEU A 59 -8.312 -8.843 1.579 1.00 1.79 H new ATOM 0 HD13 LEU A 59 -9.669 -9.991 1.669 1.00 1.79 H new ATOM 0 HD21 LEU A 59 -11.263 -8.724 -0.632 1.00 2.08 H new ATOM 0 HD22 LEU A 59 -11.970 -9.239 0.918 1.00 2.08 H new ATOM 0 HD23 LEU A 59 -12.193 -7.567 0.350 1.00 2.08 H new ATOM 913 N PRO A 60 -13.540 -6.348 2.548 1.00 0.38 N ATOM 914 CA PRO A 60 -14.793 -6.320 1.794 1.00 0.41 C ATOM 915 C PRO A 60 -15.350 -4.914 1.534 1.00 0.38 C ATOM 916 O PRO A 60 -16.281 -4.761 0.746 1.00 0.46 O ATOM 917 CB PRO A 60 -15.778 -7.135 2.628 1.00 0.47 C ATOM 918 CG PRO A 60 -15.175 -7.298 3.977 1.00 0.52 C ATOM 919 CD PRO A 60 -13.747 -6.827 3.923 1.00 0.42 C ATOM 0 HA PRO A 60 -14.624 -6.726 0.797 1.00 0.41 H new ATOM 0 HB2 PRO A 60 -16.740 -6.627 2.694 1.00 0.47 H new ATOM 0 HB3 PRO A 60 -15.962 -8.106 2.168 1.00 0.47 H new ATOM 0 HG2 PRO A 60 -15.736 -6.723 4.714 1.00 0.52 H new ATOM 0 HG3 PRO A 60 -15.218 -8.342 4.287 1.00 0.52 H new ATOM 0 HD2 PRO A 60 -13.569 -6.031 4.646 1.00 0.42 H new ATOM 0 HD3 PRO A 60 -13.058 -7.636 4.164 1.00 0.42 H new ATOM 927 N PHE A 61 -14.783 -3.882 2.162 1.00 0.33 N ATOM 928 CA PHE A 61 -15.343 -2.542 2.039 1.00 0.34 C ATOM 929 C PHE A 61 -14.473 -1.682 1.175 1.00 0.28 C ATOM 930 O PHE A 61 -14.880 -0.611 0.721 1.00 0.31 O ATOM 931 CB PHE A 61 -15.559 -1.903 3.410 1.00 0.37 C ATOM 932 CG PHE A 61 -16.708 -2.499 4.179 1.00 0.44 C ATOM 933 CD1 PHE A 61 -16.552 -3.698 4.857 1.00 0.45 C ATOM 934 CD2 PHE A 61 -17.936 -1.861 4.229 1.00 0.66 C ATOM 935 CE1 PHE A 61 -17.599 -4.250 5.567 1.00 0.56 C ATOM 936 CE2 PHE A 61 -18.989 -2.409 4.938 1.00 0.77 C ATOM 937 CZ PHE A 61 -18.838 -3.595 5.587 1.00 0.68 C ATOM 0 H PHE A 61 -13.952 -3.949 2.750 1.00 0.33 H new ATOM 0 HA PHE A 61 -16.318 -2.628 1.560 1.00 0.34 H new ATOM 0 HB2 PHE A 61 -14.647 -2.007 3.998 1.00 0.37 H new ATOM 0 HB3 PHE A 61 -15.735 -0.835 3.280 1.00 0.37 H new ATOM 0 HD1 PHE A 61 -15.600 -4.206 4.829 1.00 0.45 H new ATOM 0 HD2 PHE A 61 -18.073 -0.925 3.708 1.00 0.66 H new ATOM 0 HE1 PHE A 61 -17.465 -5.178 6.102 1.00 0.56 H new ATOM 0 HE2 PHE A 61 -19.937 -1.893 4.977 1.00 0.77 H new ATOM 0 HZ PHE A 61 -19.672 -4.031 6.117 1.00 0.68 H new ATOM 947 N GLN A 62 -13.297 -2.171 0.899 1.00 0.22 N ATOM 948 CA GLN A 62 -12.415 -1.469 0.028 1.00 0.19 C ATOM 949 C GLN A 62 -11.978 -2.362 -1.115 1.00 0.19 C ATOM 950 O GLN A 62 -11.598 -3.507 -0.905 1.00 0.33 O ATOM 951 CB GLN A 62 -11.202 -0.952 0.779 1.00 0.19 C ATOM 952 CG GLN A 62 -10.261 -2.015 1.304 1.00 0.25 C ATOM 953 CD GLN A 62 -9.835 -1.770 2.728 1.00 0.40 C ATOM 954 OE1 GLN A 62 -9.782 -0.632 3.190 1.00 0.96 O ATOM 955 NE2 GLN A 62 -9.501 -2.839 3.424 1.00 0.29 N ATOM 0 H GLN A 62 -12.933 -3.050 1.266 1.00 0.22 H new ATOM 0 HA GLN A 62 -12.956 -0.614 -0.378 1.00 0.19 H new ATOM 0 HB2 GLN A 62 -10.642 -0.290 0.119 1.00 0.19 H new ATOM 0 HB3 GLN A 62 -11.546 -0.349 1.619 1.00 0.19 H new ATOM 0 HG2 GLN A 62 -10.747 -2.988 1.238 1.00 0.25 H new ATOM 0 HG3 GLN A 62 -9.377 -2.057 0.668 1.00 0.25 H new ATOM 0 HE21 GLN A 62 -9.561 -3.764 2.998 1.00 0.29 H new ATOM 0 HE22 GLN A 62 -9.183 -2.741 4.388 1.00 0.29 H new ATOM 964 N LYS A 63 -12.067 -1.864 -2.329 1.00 0.19 N ATOM 965 CA LYS A 63 -11.461 -2.563 -3.434 1.00 0.18 C ATOM 966 C LYS A 63 -10.185 -1.852 -3.812 1.00 0.13 C ATOM 967 O LYS A 63 -10.202 -0.883 -4.569 1.00 0.14 O ATOM 968 CB LYS A 63 -12.378 -2.662 -4.646 1.00 0.26 C ATOM 969 CG LYS A 63 -11.906 -3.728 -5.619 1.00 1.14 C ATOM 970 CD LYS A 63 -12.727 -3.758 -6.892 1.00 1.68 C ATOM 971 CE LYS A 63 -12.467 -5.032 -7.678 1.00 2.52 C ATOM 972 NZ LYS A 63 -11.021 -5.233 -7.966 1.00 3.15 N ATOM 0 H LYS A 63 -12.544 -0.995 -2.571 1.00 0.19 H new ATOM 0 HA LYS A 63 -11.258 -3.585 -3.113 1.00 0.18 H new ATOM 0 HB2 LYS A 63 -13.392 -2.891 -4.318 1.00 0.26 H new ATOM 0 HB3 LYS A 63 -12.417 -1.698 -5.153 1.00 0.26 H new ATOM 0 HG2 LYS A 63 -10.860 -3.549 -5.869 1.00 1.14 H new ATOM 0 HG3 LYS A 63 -11.956 -4.704 -5.136 1.00 1.14 H new ATOM 0 HD2 LYS A 63 -13.787 -3.687 -6.647 1.00 1.68 H new ATOM 0 HD3 LYS A 63 -12.483 -2.891 -7.506 1.00 1.68 H new ATOM 0 HE2 LYS A 63 -12.845 -5.886 -7.117 1.00 2.52 H new ATOM 0 HE3 LYS A 63 -13.021 -4.997 -8.616 1.00 2.52 H new ATOM 0 HZ1 LYS A 63 -10.900 -6.077 -8.561 1.00 3.15 H new ATOM 0 HZ2 LYS A 63 -10.648 -4.401 -8.466 1.00 3.15 H new ATOM 0 HZ3 LYS A 63 -10.504 -5.362 -7.073 1.00 3.15 H new ATOM 986 N LEU A 64 -9.081 -2.345 -3.290 1.00 0.12 N ATOM 987 CA LEU A 64 -7.799 -1.719 -3.499 1.00 0.10 C ATOM 988 C LEU A 64 -7.314 -2.055 -4.883 1.00 0.12 C ATOM 989 O LEU A 64 -7.209 -3.223 -5.238 1.00 0.14 O ATOM 990 CB LEU A 64 -6.807 -2.190 -2.413 1.00 0.11 C ATOM 991 CG LEU A 64 -5.302 -1.942 -2.645 1.00 0.13 C ATOM 992 CD1 LEU A 64 -4.664 -3.065 -3.445 1.00 0.48 C ATOM 993 CD2 LEU A 64 -5.054 -0.616 -3.336 1.00 0.51 C ATOM 0 H LEU A 64 -9.050 -3.186 -2.713 1.00 0.12 H new ATOM 0 HA LEU A 64 -7.884 -0.635 -3.418 1.00 0.10 H new ATOM 0 HB2 LEU A 64 -7.084 -1.706 -1.476 1.00 0.11 H new ATOM 0 HB3 LEU A 64 -6.950 -3.261 -2.273 1.00 0.11 H new ATOM 0 HG LEU A 64 -4.838 -1.912 -1.659 1.00 0.13 H new ATOM 0 HD11 LEU A 64 -3.604 -2.854 -3.587 1.00 0.48 H new ATOM 0 HD12 LEU A 64 -4.777 -4.006 -2.906 1.00 0.48 H new ATOM 0 HD13 LEU A 64 -5.152 -3.143 -4.416 1.00 0.48 H new ATOM 0 HD21 LEU A 64 -3.983 -0.477 -3.482 1.00 0.51 H new ATOM 0 HD22 LEU A 64 -5.556 -0.610 -4.303 1.00 0.51 H new ATOM 0 HD23 LEU A 64 -5.444 0.194 -2.720 1.00 0.51 H new ATOM 1005 N ILE A 65 -7.103 -1.007 -5.661 1.00 0.12 N ATOM 1006 CA ILE A 65 -6.516 -1.100 -6.976 1.00 0.14 C ATOM 1007 C ILE A 65 -5.331 -0.153 -7.055 1.00 0.15 C ATOM 1008 O ILE A 65 -5.497 1.069 -6.985 1.00 0.16 O ATOM 1009 CB ILE A 65 -7.535 -0.650 -8.022 1.00 0.16 C ATOM 1010 CG1 ILE A 65 -8.823 -1.471 -7.918 1.00 0.17 C ATOM 1011 CG2 ILE A 65 -6.943 -0.739 -9.423 1.00 0.20 C ATOM 1012 CD1 ILE A 65 -9.916 -1.014 -8.857 1.00 1.20 C ATOM 0 H ILE A 65 -7.341 -0.054 -5.387 1.00 0.12 H new ATOM 0 HA ILE A 65 -6.208 -2.130 -7.159 1.00 0.14 H new ATOM 0 HB ILE A 65 -7.786 0.392 -7.826 1.00 0.16 H new ATOM 0 HG12 ILE A 65 -8.594 -2.517 -8.124 1.00 0.17 H new ATOM 0 HG13 ILE A 65 -9.193 -1.421 -6.894 1.00 0.17 H new ATOM 0 HG21 ILE A 65 -7.685 -0.414 -10.153 1.00 0.20 H new ATOM 0 HG22 ILE A 65 -6.064 -0.097 -9.488 1.00 0.20 H new ATOM 0 HG23 ILE A 65 -6.656 -1.770 -9.632 1.00 0.20 H new ATOM 0 HD11 ILE A 65 -10.796 -1.644 -8.725 1.00 1.20 H new ATOM 0 HD12 ILE A 65 -10.175 0.022 -8.638 1.00 1.20 H new ATOM 0 HD13 ILE A 65 -9.567 -1.090 -9.887 1.00 1.20 H new ATOM 1024 N PHE A 66 -4.143 -0.711 -7.087 1.00 0.17 N ATOM 1025 CA PHE A 66 -2.935 0.033 -7.375 1.00 0.18 C ATOM 1026 C PHE A 66 -1.785 -0.911 -7.617 1.00 0.20 C ATOM 1027 O PHE A 66 -1.834 -2.044 -7.141 1.00 0.20 O ATOM 1028 CB PHE A 66 -2.615 1.109 -6.368 1.00 0.19 C ATOM 1029 CG PHE A 66 -2.619 2.473 -7.014 1.00 0.23 C ATOM 1030 CD1 PHE A 66 -1.802 2.730 -8.103 1.00 0.45 C ATOM 1031 CD2 PHE A 66 -3.445 3.486 -6.555 1.00 0.25 C ATOM 1032 CE1 PHE A 66 -1.808 3.968 -8.718 1.00 0.51 C ATOM 1033 CE2 PHE A 66 -3.454 4.727 -7.163 1.00 0.28 C ATOM 1034 CZ PHE A 66 -2.635 4.968 -8.246 1.00 0.36 C ATOM 0 H PHE A 66 -3.985 -1.703 -6.912 1.00 0.17 H new ATOM 0 HA PHE A 66 -3.118 0.589 -8.295 1.00 0.18 H new ATOM 0 HB2 PHE A 66 -3.345 1.084 -5.559 1.00 0.19 H new ATOM 0 HB3 PHE A 66 -1.639 0.917 -5.923 1.00 0.19 H new ATOM 0 HD1 PHE A 66 -1.152 1.953 -8.476 1.00 0.45 H new ATOM 0 HD2 PHE A 66 -4.092 3.303 -5.709 1.00 0.25 H new ATOM 0 HE1 PHE A 66 -1.166 4.153 -9.567 1.00 0.51 H new ATOM 0 HE2 PHE A 66 -4.102 5.507 -6.791 1.00 0.28 H new ATOM 0 HZ PHE A 66 -2.640 5.937 -8.724 1.00 0.36 H new ATOM 1044 N LYS A 67 -0.816 -0.501 -8.431 1.00 0.22 N ATOM 1045 CA LYS A 67 0.383 -1.305 -8.737 1.00 0.25 C ATOM 1046 C LYS A 67 -0.011 -2.552 -9.497 1.00 0.28 C ATOM 1047 O LYS A 67 0.623 -3.602 -9.384 1.00 0.32 O ATOM 1048 CB LYS A 67 1.248 -1.686 -7.483 1.00 0.25 C ATOM 1049 CG LYS A 67 0.614 -1.519 -6.091 1.00 0.18 C ATOM 1050 CD LYS A 67 1.568 -2.005 -4.998 1.00 0.21 C ATOM 1051 CE LYS A 67 0.941 -1.988 -3.609 1.00 0.18 C ATOM 1052 NZ LYS A 67 1.971 -1.864 -2.530 1.00 0.19 N ATOM 0 H LYS A 67 -0.833 0.403 -8.904 1.00 0.22 H new ATOM 0 HA LYS A 67 1.020 -0.668 -9.351 1.00 0.25 H new ATOM 0 HB2 LYS A 67 1.550 -2.728 -7.590 1.00 0.25 H new ATOM 0 HB3 LYS A 67 2.158 -1.086 -7.510 1.00 0.25 H new ATOM 0 HG2 LYS A 67 0.365 -0.471 -5.923 1.00 0.18 H new ATOM 0 HG3 LYS A 67 -0.319 -2.080 -6.042 1.00 0.18 H new ATOM 0 HD2 LYS A 67 1.893 -3.019 -5.232 1.00 0.21 H new ATOM 0 HD3 LYS A 67 2.459 -1.377 -4.996 1.00 0.21 H new ATOM 0 HE2 LYS A 67 0.240 -1.157 -3.538 1.00 0.18 H new ATOM 0 HE3 LYS A 67 0.367 -2.903 -3.459 1.00 0.18 H new ATOM 0 HZ1 LYS A 67 1.750 -2.529 -1.761 1.00 0.19 H new ATOM 0 HZ2 LYS A 67 2.910 -2.084 -2.919 1.00 0.19 H new ATOM 0 HZ3 LYS A 67 1.969 -0.893 -2.158 1.00 0.19 H new ATOM 1066 N GLY A 68 -1.062 -2.399 -10.294 1.00 0.31 N ATOM 1067 CA GLY A 68 -1.627 -3.507 -11.038 1.00 0.38 C ATOM 1068 C GLY A 68 -2.161 -4.570 -10.121 1.00 0.38 C ATOM 1069 O GLY A 68 -2.508 -5.674 -10.544 1.00 0.47 O ATOM 0 H GLY A 68 -1.540 -1.509 -10.439 1.00 0.31 H new ATOM 0 HA2 GLY A 68 -2.428 -3.144 -11.681 1.00 0.38 H new ATOM 0 HA3 GLY A 68 -0.865 -3.936 -11.689 1.00 0.38 H new ATOM 1073 N LYS A 69 -2.239 -4.213 -8.860 1.00 0.30 N ATOM 1074 CA LYS A 69 -2.631 -5.127 -7.824 1.00 0.33 C ATOM 1075 C LYS A 69 -3.934 -4.706 -7.198 1.00 0.24 C ATOM 1076 O LYS A 69 -4.220 -3.520 -7.041 1.00 0.23 O ATOM 1077 CB LYS A 69 -1.551 -5.187 -6.757 1.00 0.41 C ATOM 1078 CG LYS A 69 -0.262 -5.792 -7.255 1.00 0.62 C ATOM 1079 CD LYS A 69 0.812 -5.750 -6.196 1.00 0.58 C ATOM 1080 CE LYS A 69 1.767 -6.904 -6.368 1.00 0.44 C ATOM 1081 NZ LYS A 69 2.407 -6.901 -7.705 1.00 1.21 N ATOM 0 H LYS A 69 -2.030 -3.272 -8.527 1.00 0.30 H new ATOM 0 HA LYS A 69 -2.764 -6.113 -8.270 1.00 0.33 H new ATOM 0 HB2 LYS A 69 -1.355 -4.180 -6.390 1.00 0.41 H new ATOM 0 HB3 LYS A 69 -1.916 -5.769 -5.911 1.00 0.41 H new ATOM 0 HG2 LYS A 69 -0.436 -6.825 -7.558 1.00 0.62 H new ATOM 0 HG3 LYS A 69 0.076 -5.253 -8.140 1.00 0.62 H new ATOM 0 HD2 LYS A 69 1.356 -4.807 -6.258 1.00 0.58 H new ATOM 0 HD3 LYS A 69 0.357 -5.791 -5.206 1.00 0.58 H new ATOM 0 HE2 LYS A 69 2.537 -6.856 -5.598 1.00 0.44 H new ATOM 0 HE3 LYS A 69 1.231 -7.842 -6.225 1.00 0.44 H new ATOM 0 HZ1 LYS A 69 3.117 -7.659 -7.752 1.00 1.21 H new ATOM 0 HZ2 LYS A 69 1.684 -7.058 -8.436 1.00 1.21 H new ATOM 0 HZ3 LYS A 69 2.869 -5.983 -7.867 1.00 1.21 H new ATOM 1095 N SER A 70 -4.716 -5.687 -6.854 1.00 0.23 N ATOM 1096 CA SER A 70 -5.943 -5.451 -6.152 1.00 0.21 C ATOM 1097 C SER A 70 -5.877 -6.186 -4.819 1.00 0.23 C ATOM 1098 O SER A 70 -5.198 -7.202 -4.718 1.00 0.31 O ATOM 1099 CB SER A 70 -7.139 -5.902 -7.000 1.00 0.24 C ATOM 1100 OG SER A 70 -8.345 -5.299 -6.552 1.00 1.27 O ATOM 0 H SER A 70 -4.522 -6.669 -7.051 1.00 0.23 H new ATOM 0 HA SER A 70 -6.078 -4.386 -5.962 1.00 0.21 H new ATOM 0 HB2 SER A 70 -6.966 -5.642 -8.044 1.00 0.24 H new ATOM 0 HB3 SER A 70 -7.233 -6.987 -6.953 1.00 0.24 H new ATOM 0 HG SER A 70 -8.135 -4.496 -6.031 1.00 1.27 H new ATOM 1106 N LEU A 71 -6.551 -5.673 -3.796 1.00 0.19 N ATOM 1107 CA LEU A 71 -6.415 -6.262 -2.458 1.00 0.21 C ATOM 1108 C LEU A 71 -7.018 -7.652 -2.409 1.00 0.26 C ATOM 1109 O LEU A 71 -8.081 -7.898 -2.984 1.00 0.32 O ATOM 1110 CB LEU A 71 -7.055 -5.407 -1.360 1.00 0.23 C ATOM 1111 CG LEU A 71 -8.547 -5.632 -1.100 1.00 0.31 C ATOM 1112 CD1 LEU A 71 -8.974 -4.864 0.135 1.00 1.34 C ATOM 1113 CD2 LEU A 71 -9.390 -5.226 -2.297 1.00 1.21 C ATOM 0 H LEU A 71 -7.181 -4.873 -3.856 1.00 0.19 H new ATOM 0 HA LEU A 71 -5.343 -6.312 -2.267 1.00 0.21 H new ATOM 0 HB2 LEU A 71 -6.516 -5.587 -0.430 1.00 0.23 H new ATOM 0 HB3 LEU A 71 -6.908 -4.358 -1.616 1.00 0.23 H new ATOM 0 HG LEU A 71 -8.707 -6.698 -0.935 1.00 0.31 H new ATOM 0 HD11 LEU A 71 -10.036 -5.027 0.316 1.00 1.34 H new ATOM 0 HD12 LEU A 71 -8.402 -5.211 0.995 1.00 1.34 H new ATOM 0 HD13 LEU A 71 -8.791 -3.800 -0.017 1.00 1.34 H new ATOM 0 HD21 LEU A 71 -10.443 -5.400 -2.076 1.00 1.21 H new ATOM 0 HD22 LEU A 71 -9.234 -4.169 -2.510 1.00 1.21 H new ATOM 0 HD23 LEU A 71 -9.099 -5.818 -3.165 1.00 1.21 H new ATOM 1179 N GLU A 75 -2.275 -11.999 -2.812 1.00 0.35 N ATOM 1180 CA GLU A 75 -2.644 -11.665 -4.171 1.00 0.33 C ATOM 1181 C GLU A 75 -1.449 -11.719 -5.147 1.00 0.30 C ATOM 1182 O GLU A 75 -0.985 -12.803 -5.504 1.00 0.49 O ATOM 1183 CB GLU A 75 -3.329 -10.289 -4.142 1.00 0.38 C ATOM 1184 CG GLU A 75 -3.812 -9.748 -5.482 1.00 0.92 C ATOM 1185 CD GLU A 75 -4.398 -10.806 -6.392 1.00 1.67 C ATOM 1186 OE1 GLU A 75 -5.450 -11.376 -6.038 1.00 2.03 O ATOM 1187 OE2 GLU A 75 -3.816 -11.077 -7.458 1.00 2.49 O ATOM 0 HA GLU A 75 -3.337 -12.412 -4.558 1.00 0.33 H new ATOM 0 HB2 GLU A 75 -4.184 -10.346 -3.468 1.00 0.38 H new ATOM 0 HB3 GLU A 75 -2.632 -9.569 -3.713 1.00 0.38 H new ATOM 0 HG2 GLU A 75 -4.563 -8.979 -5.303 1.00 0.92 H new ATOM 0 HG3 GLU A 75 -2.977 -9.266 -5.991 1.00 0.92 H new ATOM 1194 N THR A 76 -0.950 -10.560 -5.561 1.00 0.27 N ATOM 1195 CA THR A 76 0.010 -10.485 -6.672 1.00 0.26 C ATOM 1196 C THR A 76 1.488 -10.440 -6.212 1.00 0.17 C ATOM 1197 O THR A 76 1.783 -9.955 -5.122 1.00 0.18 O ATOM 1198 CB THR A 76 -0.301 -9.249 -7.541 1.00 0.40 C ATOM 1199 OG1 THR A 76 -1.554 -8.684 -7.142 1.00 0.49 O ATOM 1200 CG2 THR A 76 -0.368 -9.610 -9.017 1.00 0.69 C ATOM 0 H THR A 76 -1.189 -9.658 -5.150 1.00 0.27 H new ATOM 0 HA THR A 76 -0.108 -11.403 -7.248 1.00 0.26 H new ATOM 0 HB THR A 76 0.503 -8.528 -7.397 1.00 0.40 H new ATOM 0 HG1 THR A 76 -2.255 -8.970 -7.764 1.00 0.49 H new ATOM 0 HG21 THR A 76 -0.589 -8.716 -9.601 1.00 0.69 H new ATOM 0 HG22 THR A 76 0.589 -10.023 -9.334 1.00 0.69 H new ATOM 0 HG23 THR A 76 -1.153 -10.350 -9.175 1.00 0.69 H new ATOM 1208 N PRO A 77 2.416 -10.972 -7.059 1.00 0.19 N ATOM 1209 CA PRO A 77 3.878 -11.003 -6.839 1.00 0.18 C ATOM 1210 C PRO A 77 4.461 -9.867 -5.984 1.00 0.14 C ATOM 1211 O PRO A 77 4.231 -8.680 -6.236 1.00 0.16 O ATOM 1212 CB PRO A 77 4.408 -10.913 -8.264 1.00 0.30 C ATOM 1213 CG PRO A 77 3.410 -11.665 -9.087 1.00 0.36 C ATOM 1214 CD PRO A 77 2.096 -11.644 -8.333 1.00 0.28 C ATOM 0 HA PRO A 77 4.160 -11.888 -6.269 1.00 0.18 H new ATOM 0 HB2 PRO A 77 4.491 -9.877 -8.591 1.00 0.30 H new ATOM 0 HB3 PRO A 77 5.402 -11.354 -8.346 1.00 0.30 H new ATOM 0 HG2 PRO A 77 3.297 -11.205 -10.069 1.00 0.36 H new ATOM 0 HG3 PRO A 77 3.742 -12.690 -9.252 1.00 0.36 H new ATOM 0 HD2 PRO A 77 1.329 -11.102 -8.886 1.00 0.28 H new ATOM 0 HD3 PRO A 77 1.717 -12.652 -8.166 1.00 0.28 H new ATOM 1222 N LEU A 78 5.251 -10.280 -4.999 1.00 0.14 N ATOM 1223 CA LEU A 78 5.823 -9.408 -3.971 1.00 0.15 C ATOM 1224 C LEU A 78 6.847 -8.401 -4.501 1.00 0.16 C ATOM 1225 O LEU A 78 6.878 -7.259 -4.064 1.00 0.16 O ATOM 1226 CB LEU A 78 6.441 -10.263 -2.867 1.00 0.19 C ATOM 1227 CG LEU A 78 5.436 -11.097 -2.083 1.00 0.19 C ATOM 1228 CD1 LEU A 78 5.036 -12.348 -2.852 1.00 0.22 C ATOM 1229 CD2 LEU A 78 5.988 -11.470 -0.719 1.00 0.24 C ATOM 0 H LEU A 78 5.521 -11.257 -4.888 1.00 0.14 H new ATOM 0 HA LEU A 78 5.001 -8.809 -3.579 1.00 0.15 H new ATOM 0 HB2 LEU A 78 7.181 -10.929 -3.311 1.00 0.19 H new ATOM 0 HB3 LEU A 78 6.974 -9.612 -2.174 1.00 0.19 H new ATOM 0 HG LEU A 78 4.544 -10.487 -1.941 1.00 0.19 H new ATOM 0 HD11 LEU A 78 4.318 -12.922 -2.266 1.00 0.22 H new ATOM 0 HD12 LEU A 78 4.583 -12.062 -3.801 1.00 0.22 H new ATOM 0 HD13 LEU A 78 5.920 -12.957 -3.040 1.00 0.22 H new ATOM 0 HD21 LEU A 78 5.252 -12.065 -0.179 1.00 0.24 H new ATOM 0 HD22 LEU A 78 6.903 -12.050 -0.843 1.00 0.24 H new ATOM 0 HD23 LEU A 78 6.206 -10.563 -0.155 1.00 0.24 H new ATOM 1241 N SER A 79 7.704 -8.815 -5.412 1.00 0.18 N ATOM 1242 CA SER A 79 8.674 -7.890 -5.994 1.00 0.22 C ATOM 1243 C SER A 79 7.941 -6.722 -6.657 1.00 0.22 C ATOM 1244 O SER A 79 8.361 -5.566 -6.584 1.00 0.24 O ATOM 1245 CB SER A 79 9.576 -8.611 -6.998 1.00 0.27 C ATOM 1246 OG SER A 79 10.612 -7.761 -7.462 1.00 1.17 O ATOM 0 H SER A 79 7.755 -9.770 -5.766 1.00 0.18 H new ATOM 0 HA SER A 79 9.310 -7.498 -5.200 1.00 0.22 H new ATOM 0 HB2 SER A 79 10.010 -9.495 -6.531 1.00 0.27 H new ATOM 0 HB3 SER A 79 8.980 -8.957 -7.843 1.00 0.27 H new ATOM 0 HG SER A 79 11.173 -8.248 -8.101 1.00 1.17 H new ATOM 1252 N ALA A 80 6.825 -7.046 -7.282 1.00 0.20 N ATOM 1253 CA ALA A 80 5.967 -6.071 -7.935 1.00 0.22 C ATOM 1254 C ALA A 80 5.074 -5.333 -6.925 1.00 0.18 C ATOM 1255 O ALA A 80 4.243 -4.512 -7.309 1.00 0.19 O ATOM 1256 CB ALA A 80 5.138 -6.750 -9.011 1.00 0.27 C ATOM 0 H ALA A 80 6.483 -8.004 -7.352 1.00 0.20 H new ATOM 0 HA ALA A 80 6.600 -5.318 -8.404 1.00 0.22 H new ATOM 0 HB1 ALA A 80 4.498 -6.013 -9.496 1.00 0.27 H new ATOM 0 HB2 ALA A 80 5.800 -7.199 -9.751 1.00 0.27 H new ATOM 0 HB3 ALA A 80 4.520 -7.526 -8.559 1.00 0.27 H new ATOM 1262 N LEU A 81 5.224 -5.657 -5.640 1.00 0.14 N ATOM 1263 CA LEU A 81 4.325 -5.178 -4.581 1.00 0.13 C ATOM 1264 C LEU A 81 4.534 -3.689 -4.259 1.00 0.12 C ATOM 1265 O LEU A 81 4.174 -3.235 -3.179 1.00 0.11 O ATOM 1266 CB LEU A 81 4.487 -6.018 -3.308 1.00 0.13 C ATOM 1267 CG LEU A 81 3.205 -6.428 -2.564 1.00 0.15 C ATOM 1268 CD1 LEU A 81 2.212 -5.285 -2.463 1.00 0.16 C ATOM 1269 CD2 LEU A 81 2.569 -7.631 -3.230 1.00 0.19 C ATOM 0 H LEU A 81 5.973 -6.260 -5.300 1.00 0.14 H new ATOM 0 HA LEU A 81 3.309 -5.291 -4.960 1.00 0.13 H new ATOM 0 HB2 LEU A 81 5.030 -6.926 -3.570 1.00 0.13 H new ATOM 0 HB3 LEU A 81 5.116 -5.460 -2.614 1.00 0.13 H new ATOM 0 HG LEU A 81 3.491 -6.696 -1.547 1.00 0.15 H new ATOM 0 HD11 LEU A 81 1.323 -5.622 -1.930 1.00 0.16 H new ATOM 0 HD12 LEU A 81 2.667 -4.455 -1.922 1.00 0.16 H new ATOM 0 HD13 LEU A 81 1.932 -4.956 -3.464 1.00 0.16 H new ATOM 0 HD21 LEU A 81 1.663 -7.908 -2.691 1.00 0.19 H new ATOM 0 HD22 LEU A 81 2.317 -7.385 -4.262 1.00 0.19 H new ATOM 0 HD23 LEU A 81 3.269 -8.466 -3.217 1.00 0.19 H new ATOM 1281 N GLY A 82 5.103 -2.909 -5.172 1.00 0.12 N ATOM 1282 CA GLY A 82 5.295 -1.506 -4.858 1.00 0.12 C ATOM 1283 C GLY A 82 6.716 -1.106 -4.527 1.00 0.11 C ATOM 1284 O GLY A 82 6.909 -0.319 -3.605 1.00 0.12 O ATOM 0 H GLY A 82 5.425 -3.209 -6.092 1.00 0.12 H new ATOM 0 HA2 GLY A 82 4.956 -0.911 -5.706 1.00 0.12 H new ATOM 0 HA3 GLY A 82 4.656 -1.249 -4.013 1.00 0.12 H new ATOM 1288 N MET A 83 7.724 -1.656 -5.225 1.00 0.13 N ATOM 1289 CA MET A 83 9.098 -1.211 -4.972 1.00 0.15 C ATOM 1290 C MET A 83 9.284 0.244 -5.425 1.00 0.15 C ATOM 1291 O MET A 83 9.706 0.552 -6.540 1.00 0.19 O ATOM 1292 CB MET A 83 10.101 -2.125 -5.694 1.00 0.20 C ATOM 1293 CG MET A 83 9.843 -2.296 -7.185 1.00 0.49 C ATOM 1294 SD MET A 83 11.069 -3.348 -7.987 1.00 0.97 S ATOM 1295 CE MET A 83 10.469 -3.343 -9.675 1.00 1.79 C ATOM 0 H MET A 83 7.620 -2.378 -5.938 1.00 0.13 H new ATOM 0 HA MET A 83 9.285 -1.268 -3.900 1.00 0.15 H new ATOM 0 HB2 MET A 83 11.104 -1.722 -5.556 1.00 0.20 H new ATOM 0 HB3 MET A 83 10.084 -3.107 -5.221 1.00 0.20 H new ATOM 0 HG2 MET A 83 8.851 -2.724 -7.331 1.00 0.49 H new ATOM 0 HG3 MET A 83 9.841 -1.317 -7.664 1.00 0.49 H new ATOM 0 HE1 MET A 83 11.125 -3.953 -10.296 1.00 1.79 H new ATOM 0 HE2 MET A 83 9.459 -3.752 -9.703 1.00 1.79 H new ATOM 0 HE3 MET A 83 10.457 -2.321 -10.054 1.00 1.79 H new ATOM 1305 N GLN A 84 8.903 1.113 -4.516 1.00 0.14 N ATOM 1306 CA GLN A 84 9.153 2.539 -4.510 1.00 0.15 C ATOM 1307 C GLN A 84 8.776 2.929 -3.111 1.00 0.16 C ATOM 1308 O GLN A 84 8.311 2.046 -2.407 1.00 0.16 O ATOM 1309 CB GLN A 84 8.336 3.282 -5.567 1.00 0.16 C ATOM 1310 CG GLN A 84 7.002 2.632 -5.867 1.00 0.61 C ATOM 1311 CD GLN A 84 6.411 3.092 -7.178 1.00 1.08 C ATOM 1312 OE1 GLN A 84 5.647 4.050 -7.224 1.00 1.79 O ATOM 1313 NE2 GLN A 84 6.761 2.405 -8.251 1.00 1.61 N ATOM 0 H GLN A 84 8.369 0.819 -3.698 1.00 0.14 H new ATOM 0 HA GLN A 84 10.181 2.795 -4.764 1.00 0.15 H new ATOM 0 HB2 GLN A 84 8.165 4.304 -5.230 1.00 0.16 H new ATOM 0 HB3 GLN A 84 8.917 3.342 -6.487 1.00 0.16 H new ATOM 0 HG2 GLN A 84 7.127 1.549 -5.890 1.00 0.61 H new ATOM 0 HG3 GLN A 84 6.304 2.856 -5.060 1.00 0.61 H new ATOM 0 HE21 GLN A 84 7.400 1.615 -8.165 1.00 1.61 H new ATOM 0 HE22 GLN A 84 6.392 2.665 -9.166 1.00 1.61 H new ATOM 1322 N ASN A 85 8.973 4.155 -2.640 1.00 0.17 N ATOM 1323 CA ASN A 85 8.429 4.446 -1.310 1.00 0.17 C ATOM 1324 C ASN A 85 6.943 4.117 -1.327 1.00 0.16 C ATOM 1325 O ASN A 85 6.158 4.837 -1.909 1.00 0.18 O ATOM 1326 CB ASN A 85 8.633 5.920 -0.882 1.00 0.19 C ATOM 1327 CG ASN A 85 7.983 6.947 -1.801 1.00 0.28 C ATOM 1328 OD1 ASN A 85 7.543 7.998 -1.352 1.00 1.22 O ATOM 1329 ND2 ASN A 85 7.924 6.665 -3.090 1.00 0.99 N ATOM 0 H ASN A 85 9.465 4.914 -3.111 1.00 0.17 H new ATOM 0 HA ASN A 85 8.966 3.837 -0.582 1.00 0.17 H new ATOM 0 HB2 ASN A 85 8.235 6.050 0.124 1.00 0.19 H new ATOM 0 HB3 ASN A 85 9.702 6.124 -0.831 1.00 0.19 H new ATOM 0 HD21 ASN A 85 7.504 7.330 -3.739 1.00 0.99 H new ATOM 0 HD22 ASN A 85 8.298 5.782 -3.436 1.00 0.99 H new ATOM 1336 N GLY A 86 6.599 3.019 -0.662 1.00 0.15 N ATOM 1337 CA GLY A 86 5.231 2.527 -0.534 1.00 0.14 C ATOM 1338 C GLY A 86 4.465 2.295 -1.844 1.00 0.12 C ATOM 1339 O GLY A 86 3.585 1.433 -1.893 1.00 0.13 O ATOM 0 H GLY A 86 7.282 2.431 -0.184 1.00 0.15 H new ATOM 0 HA2 GLY A 86 5.256 1.588 0.018 1.00 0.14 H new ATOM 0 HA3 GLY A 86 4.667 3.238 0.070 1.00 0.14 H new ATOM 1343 N CYS A 87 4.822 3.030 -2.898 1.00 0.11 N ATOM 1344 CA CYS A 87 4.085 3.051 -4.156 1.00 0.12 C ATOM 1345 C CYS A 87 2.722 3.711 -3.958 1.00 0.12 C ATOM 1346 O CYS A 87 2.564 4.621 -3.138 1.00 0.17 O ATOM 1347 CB CYS A 87 3.910 1.644 -4.684 1.00 0.23 C ATOM 1348 SG CYS A 87 3.485 1.531 -6.442 1.00 0.94 S ATOM 0 H CYS A 87 5.643 3.635 -2.899 1.00 0.11 H new ATOM 0 HA CYS A 87 4.653 3.630 -4.884 1.00 0.12 H new ATOM 0 HB2 CYS A 87 4.833 1.091 -4.513 1.00 0.23 H new ATOM 0 HB3 CYS A 87 3.130 1.149 -4.105 1.00 0.23 H new ATOM 0 HG CYS A 87 4.283 0.688 -7.028 1.00 0.94 H new ATOM 1354 N ARG A 88 1.743 3.266 -4.717 1.00 0.12 N ATOM 1355 CA ARG A 88 0.402 3.787 -4.601 1.00 0.13 C ATOM 1356 C ARG A 88 -0.550 2.622 -4.353 1.00 0.12 C ATOM 1357 O ARG A 88 -0.267 1.502 -4.774 1.00 0.15 O ATOM 1358 CB ARG A 88 -0.010 4.536 -5.877 1.00 0.19 C ATOM 1359 CG ARG A 88 1.049 5.469 -6.467 1.00 0.82 C ATOM 1360 CD ARG A 88 2.043 4.717 -7.348 1.00 0.41 C ATOM 1361 NE ARG A 88 2.939 5.615 -8.072 1.00 0.90 N ATOM 1362 CZ ARG A 88 3.498 5.320 -9.245 1.00 1.29 C ATOM 1363 NH1 ARG A 88 3.156 4.213 -9.895 1.00 1.26 N ATOM 1364 NH2 ARG A 88 4.378 6.149 -9.791 1.00 2.07 N ATOM 0 H ARG A 88 1.854 2.540 -5.425 1.00 0.12 H new ATOM 0 HA ARG A 88 0.362 4.493 -3.772 1.00 0.13 H new ATOM 0 HB2 ARG A 88 -0.285 3.802 -6.635 1.00 0.19 H new ATOM 0 HB3 ARG A 88 -0.904 5.121 -5.661 1.00 0.19 H new ATOM 0 HG2 ARG A 88 0.561 6.247 -7.053 1.00 0.82 H new ATOM 0 HG3 ARG A 88 1.585 5.967 -5.659 1.00 0.82 H new ATOM 0 HD2 ARG A 88 2.633 4.041 -6.729 1.00 0.41 H new ATOM 0 HD3 ARG A 88 1.497 4.100 -8.062 1.00 0.41 H new ATOM 0 HE ARG A 88 3.149 6.522 -7.655 1.00 0.90 H new ATOM 0 HH11 ARG A 88 2.461 3.582 -9.497 1.00 1.26 H new ATOM 0 HH12 ARG A 88 3.589 3.994 -10.792 1.00 1.26 H new ATOM 0 HH21 ARG A 88 4.628 7.015 -9.313 1.00 2.07 H new ATOM 0 HH22 ARG A 88 4.805 5.921 -10.689 1.00 2.07 H new ATOM 1378 N VAL A 89 -1.632 2.884 -3.624 1.00 0.11 N ATOM 1379 CA VAL A 89 -2.713 1.918 -3.404 1.00 0.11 C ATOM 1380 C VAL A 89 -4.018 2.659 -3.183 1.00 0.11 C ATOM 1381 O VAL A 89 -4.198 3.337 -2.173 1.00 0.12 O ATOM 1382 CB VAL A 89 -2.465 0.992 -2.190 1.00 0.13 C ATOM 1383 CG1 VAL A 89 -1.464 -0.099 -2.511 1.00 0.20 C ATOM 1384 CG2 VAL A 89 -2.004 1.790 -0.988 1.00 0.18 C ATOM 0 H VAL A 89 -1.788 3.781 -3.164 1.00 0.11 H new ATOM 0 HA VAL A 89 -2.755 1.292 -4.295 1.00 0.11 H new ATOM 0 HB VAL A 89 -3.415 0.514 -1.950 1.00 0.13 H new ATOM 0 HG11 VAL A 89 -1.317 -0.728 -1.633 1.00 0.20 H new ATOM 0 HG12 VAL A 89 -1.840 -0.707 -3.334 1.00 0.20 H new ATOM 0 HG13 VAL A 89 -0.514 0.352 -2.797 1.00 0.20 H new ATOM 0 HG21 VAL A 89 -1.836 1.117 -0.147 1.00 0.18 H new ATOM 0 HG22 VAL A 89 -1.076 2.308 -1.229 1.00 0.18 H new ATOM 0 HG23 VAL A 89 -2.768 2.520 -0.721 1.00 0.18 H new ATOM 1394 N MET A 90 -4.931 2.571 -4.120 1.00 0.11 N ATOM 1395 CA MET A 90 -6.202 3.231 -3.911 1.00 0.12 C ATOM 1396 C MET A 90 -7.361 2.277 -3.990 1.00 0.12 C ATOM 1397 O MET A 90 -7.488 1.495 -4.926 1.00 0.13 O ATOM 1398 CB MET A 90 -6.383 4.442 -4.814 1.00 0.16 C ATOM 1399 CG MET A 90 -7.557 4.363 -5.780 1.00 0.68 C ATOM 1400 SD MET A 90 -7.752 5.867 -6.758 1.00 1.30 S ATOM 1401 CE MET A 90 -9.331 5.549 -7.545 1.00 1.92 C ATOM 0 H MET A 90 -4.829 2.070 -5.003 1.00 0.11 H new ATOM 0 HA MET A 90 -6.187 3.612 -2.890 1.00 0.12 H new ATOM 0 HB2 MET A 90 -6.507 5.326 -4.188 1.00 0.16 H new ATOM 0 HB3 MET A 90 -5.469 4.585 -5.390 1.00 0.16 H new ATOM 0 HG2 MET A 90 -7.416 3.514 -6.449 1.00 0.68 H new ATOM 0 HG3 MET A 90 -8.473 4.177 -5.219 1.00 0.68 H new ATOM 0 HE1 MET A 90 -9.552 6.348 -8.253 1.00 1.92 H new ATOM 0 HE2 MET A 90 -9.289 4.597 -8.073 1.00 1.92 H new ATOM 0 HE3 MET A 90 -10.114 5.509 -6.787 1.00 1.92 H new ATOM 1411 N LEU A 91 -8.197 2.330 -2.987 1.00 0.12 N ATOM 1412 CA LEU A 91 -9.354 1.486 -2.957 1.00 0.12 C ATOM 1413 C LEU A 91 -10.559 2.241 -3.433 1.00 0.14 C ATOM 1414 O LEU A 91 -10.841 3.359 -2.992 1.00 0.15 O ATOM 1415 CB LEU A 91 -9.588 0.812 -1.582 1.00 0.11 C ATOM 1416 CG LEU A 91 -9.866 1.676 -0.316 1.00 0.12 C ATOM 1417 CD1 LEU A 91 -8.897 2.836 -0.178 1.00 0.15 C ATOM 1418 CD2 LEU A 91 -11.306 2.181 -0.287 1.00 0.14 C ATOM 0 H LEU A 91 -8.096 2.949 -2.183 1.00 0.12 H new ATOM 0 HA LEU A 91 -9.170 0.661 -3.646 1.00 0.12 H new ATOM 0 HB2 LEU A 91 -10.430 0.130 -1.697 1.00 0.11 H new ATOM 0 HB3 LEU A 91 -8.710 0.202 -1.369 1.00 0.11 H new ATOM 0 HG LEU A 91 -9.712 1.018 0.539 1.00 0.12 H new ATOM 0 HD11 LEU A 91 -9.136 3.405 0.721 1.00 0.15 H new ATOM 0 HD12 LEU A 91 -7.879 2.453 -0.105 1.00 0.15 H new ATOM 0 HD13 LEU A 91 -8.979 3.484 -1.050 1.00 0.15 H new ATOM 0 HD21 LEU A 91 -11.464 2.780 0.610 1.00 0.14 H new ATOM 0 HD22 LEU A 91 -11.495 2.792 -1.169 1.00 0.14 H new ATOM 0 HD23 LEU A 91 -11.989 1.332 -0.281 1.00 0.14 H new ATOM 1430 N ILE A 92 -11.248 1.643 -4.371 1.00 0.18 N ATOM 1431 CA ILE A 92 -12.434 2.245 -4.884 1.00 0.23 C ATOM 1432 C ILE A 92 -13.621 1.594 -4.217 1.00 0.23 C ATOM 1433 O ILE A 92 -13.911 0.418 -4.438 1.00 0.26 O ATOM 1434 CB ILE A 92 -12.534 2.084 -6.410 1.00 0.31 C ATOM 1435 CG1 ILE A 92 -11.162 2.327 -7.043 1.00 0.42 C ATOM 1436 CG2 ILE A 92 -13.574 3.040 -6.979 1.00 0.37 C ATOM 1437 CD1 ILE A 92 -11.178 2.358 -8.558 1.00 0.51 C ATOM 0 H ILE A 92 -11.003 0.745 -4.788 1.00 0.18 H new ATOM 0 HA ILE A 92 -12.412 3.314 -4.671 1.00 0.23 H new ATOM 0 HB ILE A 92 -12.852 1.068 -6.644 1.00 0.31 H new ATOM 0 HG12 ILE A 92 -10.766 3.273 -6.675 1.00 0.42 H new ATOM 0 HG13 ILE A 92 -10.478 1.545 -6.713 1.00 0.42 H new ATOM 0 HG21 ILE A 92 -13.632 2.913 -8.060 1.00 0.37 H new ATOM 0 HG22 ILE A 92 -14.546 2.826 -6.536 1.00 0.37 H new ATOM 0 HG23 ILE A 92 -13.289 4.067 -6.749 1.00 0.37 H new ATOM 0 HD11 ILE A 92 -10.168 2.535 -8.929 1.00 0.51 H new ATOM 0 HD12 ILE A 92 -11.542 1.403 -8.938 1.00 0.51 H new ATOM 0 HD13 ILE A 92 -11.835 3.158 -8.899 1.00 0.51 H new ATOM 1449 N GLY A 93 -14.278 2.351 -3.376 1.00 0.24 N ATOM 1450 CA GLY A 93 -15.433 1.843 -2.681 1.00 0.28 C ATOM 1451 C GLY A 93 -15.742 2.659 -1.458 1.00 0.30 C ATOM 1452 O GLY A 93 -16.310 3.744 -1.558 1.00 0.45 O ATOM 0 H GLY A 93 -14.035 3.317 -3.156 1.00 0.24 H new ATOM 0 HA2 GLY A 93 -16.293 1.848 -3.350 1.00 0.28 H new ATOM 0 HA3 GLY A 93 -15.259 0.806 -2.394 1.00 0.28 H new ATOM 1456 N GLU A 94 -15.333 2.165 -0.304 1.00 0.25 N ATOM 1457 CA GLU A 94 -15.637 2.838 0.937 1.00 0.26 C ATOM 1458 C GLU A 94 -14.494 2.716 1.931 1.00 0.24 C ATOM 1459 O GLU A 94 -14.081 1.616 2.289 1.00 0.35 O ATOM 1460 CB GLU A 94 -16.915 2.254 1.536 1.00 0.32 C ATOM 1461 CG GLU A 94 -17.401 2.983 2.774 1.00 0.98 C ATOM 1462 CD GLU A 94 -18.749 2.484 3.231 1.00 1.53 C ATOM 1463 OE1 GLU A 94 -19.774 2.920 2.668 1.00 2.02 O ATOM 1464 OE2 GLU A 94 -18.792 1.672 4.179 1.00 2.17 O ATOM 0 H GLU A 94 -14.793 1.305 -0.204 1.00 0.25 H new ATOM 0 HA GLU A 94 -15.781 3.897 0.724 1.00 0.26 H new ATOM 0 HB2 GLU A 94 -17.701 2.275 0.781 1.00 0.32 H new ATOM 0 HB3 GLU A 94 -16.742 1.207 1.787 1.00 0.32 H new ATOM 0 HG2 GLU A 94 -16.676 2.856 3.578 1.00 0.98 H new ATOM 0 HG3 GLU A 94 -17.461 4.051 2.565 1.00 0.98 H new ATOM 1471 N LYS A 95 -13.970 3.851 2.359 1.00 0.25 N ATOM 1472 CA LYS A 95 -13.060 3.872 3.482 1.00 0.26 C ATOM 1473 C LYS A 95 -13.888 3.990 4.759 1.00 0.39 C ATOM 1474 O LYS A 95 -13.952 5.051 5.381 1.00 0.48 O ATOM 1475 CB LYS A 95 -12.052 5.024 3.371 1.00 0.28 C ATOM 1476 CG LYS A 95 -10.789 4.691 2.570 1.00 0.27 C ATOM 1477 CD LYS A 95 -9.737 5.784 2.720 1.00 0.55 C ATOM 1478 CE LYS A 95 -8.414 5.420 2.055 1.00 0.35 C ATOM 1479 NZ LYS A 95 -7.454 6.555 2.119 1.00 1.19 N ATOM 0 H LYS A 95 -14.160 4.764 1.946 1.00 0.25 H new ATOM 0 HA LYS A 95 -12.477 2.951 3.496 1.00 0.26 H new ATOM 0 HB2 LYS A 95 -12.546 5.878 2.907 1.00 0.28 H new ATOM 0 HB3 LYS A 95 -11.759 5.331 4.375 1.00 0.28 H new ATOM 0 HG2 LYS A 95 -10.380 3.740 2.910 1.00 0.27 H new ATOM 0 HG3 LYS A 95 -11.044 4.570 1.517 1.00 0.27 H new ATOM 0 HD2 LYS A 95 -10.115 6.709 2.285 1.00 0.55 H new ATOM 0 HD3 LYS A 95 -9.566 5.976 3.779 1.00 0.55 H new ATOM 0 HE2 LYS A 95 -7.984 4.547 2.547 1.00 0.35 H new ATOM 0 HE3 LYS A 95 -8.589 5.146 1.015 1.00 0.35 H new ATOM 0 HZ1 LYS A 95 -6.574 6.294 1.630 1.00 1.19 H new ATOM 0 HZ2 LYS A 95 -7.871 7.389 1.659 1.00 1.19 H new ATOM 0 HZ3 LYS A 95 -7.245 6.777 3.113 1.00 1.19 H new